#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crb n SER 2 N 0.00 -2.14 -3.74 1.61 3.41 -1.26 -4.93 113.62 106.56 2crb n SER 2 Ca 0.00 -1.04 -0.12 0.00 -0.26 0.00 0.00 58.87 57.45 2crb n SER 2 Cb 0.00 -2.71 -0.08 0.00 -0.26 0.00 0.00 64.21 61.17 2crb n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crb s SER 3 N -3.66 -0.17 0.00 4.04 0.01 -1.26 -5.08 113.70 107.58 2crb s SER 3 Ca 0.49 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2crb s SER 3 Cb -0.27 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2crb s SER 3 CO 0.93 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2crb n GLY 4 N 0.82 0.25 3.15 3.44 0.00 -1.26 -5.18 105.19 106.40 2crb n GLY 4 Ca -0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2crb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crb s SER 5 N 0.00 0.27 -0.27 1.61 0.01 -1.26 -5.13 113.70 108.92 2crb s SER 5 Ca 0.00 -0.75 -0.25 0.00 1.31 0.00 0.00 55.95 56.25 2crb s SER 5 Cb 0.00 0.27 0.11 0.00 0.21 0.00 0.00 66.02 66.60 2crb s SER 5 CO 0.00 -0.64 0.93 -0.94 0.41 0.00 0.00 173.24 173.01 2crb s SER 6 N -2.74 -0.54 0.00 2.44 1.04 -1.26 -5.16 113.70 107.48 2crb s SER 6 Ca 0.04 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2crb s SER 6 Cb 0.05 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.20 2crb s SER 6 CO -0.09 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2crb n GLY 7 N 2.29 1.91 3.98 7.32 0.00 -1.26 -4.92 105.19 114.52 2crb n GLY 7 Ca -0.13 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 2crb n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crb n MET 8 N 0.09 -3.50 -1.86 1.61 2.00 -1.26 -4.80 117.12 109.40 2crb n MET 8 Ca 0.00 0.42 -0.38 0.00 0.00 0.00 0.00 57.70 57.74 2crb n MET 8 Cb 0.00 -4.72 -0.03 0.00 0.00 0.00 0.00 33.22 28.47 2crb n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2crb s GLU 9 N -6.59 2.53 0.00 0.03 2.02 -1.26 -3.91 118.70 111.52 2crb s GLU 9 Ca 0.17 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.16 2crb s GLU 9 Cb -0.09 -4.44 0.00 0.00 0.10 0.00 0.00 34.13 29.70 2crb s GLU 9 CO 0.89 -2.82 0.00 0.41 0.02 0.00 0.00 175.26 173.76 2crb n GLY 10 N 5.78 -1.27 0.00 -1.39 0.00 -1.26 -4.93 105.19 102.11 2crb n GLY 10 Ca 0.26 0.43 0.07 0.00 0.00 0.00 0.00 46.02 46.79 2crb n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crb n PRO 11 N 0.00 0.14 -0.05 1.61 -0.04 -1.25 -2.54 135.00 132.86 2crb n PRO 11 Ca 0.00 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 2crb n PRO 11 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2crb n PRO 11 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2crb h LEU 12 N 0.00 0.18 -0.17 1.53 3.38 -1.92 -3.35 115.31 114.96 2crb h LEU 12 Ca 0.00 -0.74 -0.05 0.00 0.09 0.00 0.00 57.88 57.18 2crb h LEU 12 Cb 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2crb h LEU 12 CO 0.00 1.52 -0.08 -1.13 0.09 0.00 0.00 178.44 178.84 2crb h ASN 13 N -0.64 0.37 -0.83 -0.43 -1.24 -1.84 -3.16 115.58 107.81 2crb h ASN 13 Ca -0.30 -0.41 0.14 0.00 0.71 0.00 0.00 56.30 56.44 2crb h ASN 13 Cb 1.51 -0.10 -0.14 0.00 0.73 0.00 0.00 38.32 40.31 2crb h ASN 13 CO -0.06 0.70 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.37 2crb h LEU 14 N 0.04 -1.21 -0.66 0.34 3.38 -1.69 0.34 115.31 115.85 2crb h LEU 14 Ca 0.04 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.35 2crb h LEU 14 Cb 0.56 0.65 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2crb h LEU 14 CO 0.02 -0.29 0.35 0.00 0.09 0.00 0.00 178.44 178.61 2crb h ALA 15 N 1.34 0.89 -1.00 1.53 0.00 -1.69 -1.58 119.26 118.76 2crb h ALA 15 Ca 0.32 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.48 2crb h ALA 15 Cb 0.59 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 2crb h ALA 15 CO -0.86 -0.01 0.59 0.45 0.00 0.00 0.00 179.25 179.42 2crb h HIS 16 N 0.62 1.03 -0.95 0.00 3.86 -0.30 0.84 115.15 120.25 2crb h HIS 16 Ca 0.31 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.77 2crb h HIS 16 Cb 0.25 -0.30 -0.12 0.00 1.06 0.00 0.00 27.41 28.30 2crb h HIS 16 CO -0.10 0.16 0.51 1.96 0.86 0.00 0.00 177.93 181.33 2crb h GLN 17 N 0.68 0.54 0.02 2.45 4.20 -0.80 -0.10 115.11 122.09 2crb h GLN 17 Ca 0.60 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 59.03 2crb h GLN 17 Cb 1.03 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.71 2crb h GLN 17 CO -0.42 0.35 -0.98 1.96 -0.67 0.00 0.00 178.83 179.07 2crb h GLN 18 N 0.55 0.63 -0.76 1.46 4.20 -0.94 -3.22 115.11 117.03 2crb h GLN 18 Ca 0.59 -0.71 0.19 0.00 0.06 0.00 0.00 58.65 58.79 2crb h GLN 18 Cb 1.07 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 2crb h GLN 18 CO -0.47 1.29 0.53 0.77 -0.67 0.00 0.00 178.83 180.28 2crb h SER 19 N 0.27 0.16 -0.02 1.46 0.02 -0.49 -1.11 113.55 113.85 2crb h SER 19 Ca -0.13 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2crb h SER 19 Cb 1.65 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 64.18 2crb h SER 19 CO 0.19 0.07 -0.00 0.03 -1.14 0.00 0.00 176.83 175.98 2crb h ARG 20 N 0.17 0.03 -0.26 3.45 3.08 -1.32 -3.23 114.38 116.30 2crb h ARG 20 Ca 0.37 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.47 2crb h ARG 20 Cb 1.21 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.19 2crb h ARG 20 CO -0.06 0.40 -0.23 -0.09 -1.07 0.00 0.00 179.97 178.91 2crb h ARG 21 N -0.33 -0.22 -0.90 0.04 2.43 -1.28 -2.44 114.38 111.69 2crb h ARG 21 Ca 0.00 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2crb h ARG 21 Cb 0.38 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 29.86 2crb h ARG 21 CO 0.00 -0.15 -0.51 0.00 -1.51 0.00 0.00 179.97 177.81 2crb h ALA 22 N 0.85 -0.33 -0.81 2.80 0.00 -1.51 0.37 119.26 120.62 2crb h ALA 22 Ca 0.14 0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.41 2crb h ALA 22 Cb 0.45 1.20 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 2crb h ALA 22 CO -0.39 -0.86 0.12 0.22 0.00 0.00 0.00 179.25 178.34 2crb h ASP 23 N -0.06 -0.17 -0.00 0.00 3.58 -1.46 0.85 116.42 119.16 2crb h ASP 23 Ca 0.21 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.83 2crb h ASP 23 Cb 0.50 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2crb h ASP 23 CO -0.89 -0.16 -0.05 0.03 -2.88 0.00 0.00 179.24 175.29 2crb h ARG 24 N 0.16 0.14 0.14 0.28 2.47 -0.19 -2.50 114.38 114.89 2crb h ARG 24 Ca 0.48 -0.02 -0.30 0.00 -1.26 0.00 0.00 59.98 58.88 2crb h ARG 24 Cb 0.90 -0.03 0.03 0.00 -1.65 0.00 0.00 29.97 29.22 2crb h ARG 24 CO -0.65 0.20 -1.24 -0.07 0.56 0.00 0.00 179.97 178.77 2crb h LEU 25 N 0.14 0.85 -1.30 3.04 3.38 0.16 -3.21 115.31 118.37 2crb h LEU 25 Ca 0.03 -0.84 0.07 0.00 0.09 0.00 0.00 57.88 57.23 2crb h LEU 25 Cb 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2crb h LEU 25 CO 0.01 1.61 0.51 0.25 0.09 0.00 0.00 178.44 180.91 2crb h LEU 26 N 0.22 0.74 -0.79 1.67 5.85 -0.19 0.13 115.31 122.93 2crb h LEU 26 Ca -0.19 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 2crb h LEU 26 Cb 1.93 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 2crb h LEU 26 CO 0.24 0.48 -0.16 0.00 -0.34 0.00 0.00 178.44 178.65 2crb h ALA 27 N 1.58 0.97 -0.01 1.25 0.00 -1.52 -2.21 119.26 119.32 2crb h ALA 27 Ca 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2crb h ALA 27 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2crb h ALA 27 CO -0.12 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2crb n ALA 28 N -2.49 2.65 -1.00 0.00 0.00 -0.52 -4.86 120.51 114.28 2crb n ALA 28 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2crb n ALA 28 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2crb n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2crb n GLY 29 N 0.95 0.51 1.86 0.00 0.00 -0.79 -4.91 105.19 102.79 2crb n GLY 29 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2crb n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crb n LYS 30 N -2.97 1.63 -0.36 1.61 4.76 0.34 -4.69 118.16 118.48 2crb n LYS 30 Ca 0.00 -0.99 -0.09 0.00 -2.87 0.00 0.00 58.31 54.36 2crb n LYS 30 Cb 0.00 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 31.57 2crb n LYS 30 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2crb n TYR 31 N 1.27 -0.34 -0.27 2.13 4.01 -1.26 -0.06 117.16 122.63 2crb n TYR 31 Ca 0.24 1.09 -0.05 0.00 -0.16 0.00 0.00 57.90 59.02 2crb n TYR 31 Cb 0.61 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2crb n TYR 31 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2crb h GLU 32 N 0.00 -0.11 -1.00 -0.72 4.22 -1.89 0.58 114.58 115.64 2crb h GLU 32 Ca 0.16 0.01 0.22 0.00 0.08 0.00 0.00 59.36 59.82 2crb h GLU 32 Cb 0.37 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 2crb h GLU 32 CO -0.82 -0.08 0.61 0.93 -2.18 0.00 0.00 179.01 177.47 2crb h GLU 33 N -0.12 0.65 -0.16 1.92 4.39 -0.86 0.67 114.58 121.07 2crb h GLU 33 Ca 0.25 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.71 2crb h GLU 33 Cb 0.56 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2crb h GLU 33 CO -0.80 0.43 -0.72 0.00 -1.16 0.00 0.00 179.01 176.76 2crb h ALA 34 N 1.68 0.42 -0.29 3.43 0.00 0.62 -3.16 119.26 121.95 2crb h ALA 34 Ca 0.61 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2crb h ALA 34 Cb 1.07 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2crb h ALA 34 CO -0.41 0.70 -0.54 0.82 0.00 0.00 0.00 179.25 179.82 2crb h ILE 35 N 0.50 0.00 0.23 0.00 2.04 0.18 -2.30 117.51 118.15 2crb h ILE 35 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2crb h ILE 35 Cb 1.33 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2crb h ILE 35 CO 0.14 0.00 -0.35 0.28 0.00 0.00 0.00 178.15 178.22 2crb h SER 36 N -0.46 -0.99 -0.70 1.72 0.02 -1.61 -2.89 113.55 108.64 2crb h SER 36 Ca 0.05 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 2crb h SER 36 Cb 0.61 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 2crb h SER 36 CO -0.52 -0.46 -0.42 0.00 -1.14 0.00 0.00 176.83 174.29 2crb h HIS 38 N 0.00 1.02 0.00 0.00 -0.00 -1.23 0.69 115.15 115.62 2crb h HIS 38 Ca 0.11 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2crb h HIS 38 Cb 0.29 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2crb h HIS 38 CO -0.75 0.18 -0.04 0.00 -0.00 0.00 0.00 177.93 177.33 2crb h ARG 39 N 0.70 0.00 -0.13 2.45 3.08 0.28 -2.42 114.38 118.34 2crb h ARG 39 Ca 0.58 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.44 2crb h ARG 39 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2crb h ARG 39 CO -0.41 0.04 -0.70 0.87 -1.07 0.00 0.00 179.97 178.71 2crb h LYS 40 N 0.00 0.55 0.01 0.04 1.79 0.18 -2.96 116.57 116.18 2crb h LYS 40 Ca -0.00 -0.42 -0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2crb h LYS 40 Cb 0.36 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2crb h LYS 40 CO 0.01 1.04 -0.00 0.00 -1.08 0.00 0.00 179.45 179.42 2crb h ALA 41 N 0.84 -0.01 -0.40 3.86 0.00 -1.26 -2.92 119.26 119.37 2crb h ALA 41 Ca -0.03 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 54.63 2crb h ALA 41 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2crb h ALA 41 CO 0.13 -0.12 0.40 1.79 0.00 0.00 0.00 179.25 181.44 2crb h THR 42 N -0.77 0.46 0.05 0.00 1.35 -1.54 0.12 112.91 112.57 2crb h THR 42 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 2crb h THR 42 Cb 0.75 0.69 0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2crb h THR 42 CO 0.00 0.00 -0.48 0.74 -0.25 0.00 0.00 175.52 175.53 2crb h THR 43 N 0.00 1.55 -0.52 6.82 2.02 -1.53 -2.49 112.91 118.76 2crb h THR 43 Ca 0.19 -2.24 -0.09 0.00 0.77 0.00 0.00 66.41 65.03 2crb h THR 43 Cb 0.98 2.98 -0.02 0.00 -1.74 0.00 0.00 68.15 70.36 2crb h THR 43 CO -0.00 0.63 -0.04 0.22 0.37 0.00 0.00 175.52 176.69 2crb h TYR 44 N -0.45 1.04 0.27 3.16 3.20 -1.00 -2.89 116.97 120.31 2crb h TYR 44 Ca -0.07 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 2crb h TYR 44 Cb 1.29 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2crb h TYR 44 CO 0.19 0.97 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.48 2crb h LEU 45 N 0.81 -0.31 -1.91 2.82 3.38 -0.94 -2.48 115.31 116.68 2crb h LEU 45 Ca 0.14 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2crb h LEU 45 Cb 0.59 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2crb h LEU 45 CO 0.04 -0.04 0.43 0.77 0.09 0.00 0.00 178.44 179.73 2crb h SER 46 N -0.58 0.00 0.79 -0.43 4.64 -1.45 0.44 113.55 116.96 2crb h SER 46 Ca -0.04 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 2crb h SER 46 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2crb h SER 46 CO 0.06 0.00 -1.18 -0.33 -0.87 0.00 0.00 176.83 174.51 2crb h GLU 47 N 0.00 0.11 0.20 4.77 4.39 -1.24 -3.19 114.58 119.63 2crb h GLU 47 Ca 0.12 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2crb h GLU 47 Cb 0.99 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2crb h GLU 47 CO -0.00 1.05 -0.10 0.00 -1.16 0.00 0.00 179.01 178.80 2crb h ALA 48 N 0.82 -0.28 0.00 3.43 0.00 0.26 -2.53 119.26 120.96 2crb h ALA 48 Ca -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2crb h ALA 48 Cb 1.88 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2crb h ALA 48 CO 0.15 -0.61 -0.06 0.00 0.00 0.00 0.00 179.25 178.74 2crb h MET 49 N -0.37 0.00 0.00 0.00 -0.00 -1.65 0.28 114.93 113.19 2crb h MET 49 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2crb h MET 49 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.89 2crb h MET 49 CO 0.05 0.06 0.00 1.63 -0.00 0.00 0.00 176.91 178.64 2crb n LYS 50 N -4.29 0.11 -0.03 -0.10 5.02 -0.98 -3.95 118.16 113.95 2crb n LYS 50 Ca -0.03 0.10 -0.07 0.00 -2.02 0.00 0.00 58.31 56.29 2crb n LYS 50 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 2crb n LYS 50 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2crb n LEU 51 N -1.43 1.06 -4.49 -0.35 7.99 0.10 -5.03 117.00 114.87 2crb n LEU 51 Ca 0.07 0.17 -0.56 0.00 -0.01 0.00 0.00 56.01 55.68 2crb n LEU 51 Cb 0.23 -0.39 -0.07 0.00 -0.11 0.00 0.00 43.42 43.08 2crb n LEU 51 CO 0.19 -0.19 0.49 1.07 -1.51 0.00 0.00 177.39 177.44 2crb n THR 52 N -3.65 0.43 -1.12 -5.08 5.66 0.77 -4.83 114.28 106.46 2crb n THR 52 Ca -0.12 -0.11 -0.23 0.00 -3.05 0.00 0.00 64.05 60.53 2crb n THR 52 Cb 0.41 -0.09 0.16 0.00 -1.55 0.00 0.00 70.33 69.27 2crb n THR 52 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2crb n GLU 53 N 1.48 2.21 -4.36 1.09 1.02 -1.26 -4.92 120.64 115.90 2crb n GLU 53 Ca 0.19 -2.86 -0.23 0.00 -0.02 0.00 0.00 57.16 54.24 2crb n GLU 53 Cb 0.13 -2.12 -0.11 0.00 -0.02 0.00 0.00 31.44 29.31 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2crb s SER 54 N -1.21 2.87 -0.10 1.62 0.15 -1.26 -5.06 113.70 110.71 2crb s SER 54 Ca 0.54 -0.88 -0.14 0.00 0.70 0.00 0.00 55.95 56.17 2crb s SER 54 Cb 0.46 -0.18 -0.27 0.00 -1.71 0.00 0.00 66.02 64.31 2crb s SER 54 CO 0.09 -0.01 0.53 -0.08 1.20 0.00 0.00 173.24 174.97 2crb h GLU 55 N 3.14 0.25 0.17 5.44 4.81 -2.01 -3.32 114.58 123.06 2crb h GLU 55 Ca -0.43 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.37 2crb h GLU 55 Cb 1.21 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2crb h GLU 55 CO 0.52 1.21 -0.08 0.37 -0.73 0.00 0.00 179.01 180.29 2crb h GLN 56 N -0.24 -0.22 -0.87 1.92 5.75 -2.01 -3.08 115.11 116.36 2crb h GLN 56 Ca -0.33 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 58.41 2crb h GLN 56 Cb 1.81 0.05 -0.14 0.00 1.07 0.00 0.00 27.48 30.28 2crb h GLN 56 CO 0.06 0.07 0.24 0.00 -2.65 0.00 0.00 178.83 176.55 2crb h ALA 57 N 0.25 1.25 -0.54 3.38 0.00 -1.97 0.20 119.26 121.83 2crb h ALA 57 Ca -0.02 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2crb h ALA 57 Cb 0.39 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2crb h ALA 57 CO 0.04 -0.45 0.24 1.25 0.00 0.00 0.00 179.25 180.34 2crb h HIS 58 N 0.22 0.44 -0.66 0.00 -0.00 -1.64 -2.05 115.15 111.47 2crb h HIS 58 Ca 0.54 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 61.02 2crb h HIS 58 Cb 1.07 -0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 28.30 2crb h HIS 58 CO -0.26 0.18 0.31 -0.07 -0.00 0.00 0.00 177.93 178.10 2crb h LEU 59 N 0.47 0.40 -2.39 0.26 4.07 -0.55 0.22 115.31 117.77 2crb h LEU 59 Ca 0.25 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.27 2crb h LEU 59 Cb 0.22 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2crb h LEU 59 CO -0.21 0.24 0.06 -1.28 -1.08 0.00 0.00 178.44 176.17 2crb h SER 60 N 0.55 0.00 0.00 -0.43 0.87 -1.00 -2.51 113.55 111.03 2crb h SER 60 Ca 0.32 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.65 2crb h SER 60 Cb 0.32 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2crb h SER 60 CO -0.25 0.00 -1.43 0.18 -0.53 0.00 0.00 176.83 174.80 2crb n LEU 61 N -2.81 1.88 0.31 2.23 4.77 0.57 -3.38 117.00 120.57 2crb n LEU 61 Ca -0.02 0.43 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 2crb n LEU 61 Cb 0.11 -0.89 0.60 0.00 -2.33 0.00 0.00 43.42 40.92 2crb n LEU 61 CO 0.16 0.15 1.10 1.05 -1.33 0.00 0.00 177.39 178.52 2crb h GLU 62 N -1.00 0.00 0.00 3.23 4.11 -0.74 -1.18 114.58 119.01 2crb h GLU 62 Ca -0.34 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.03 2crb h GLU 62 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2crb h GLU 62 CO -0.20 0.00 -0.64 -0.07 0.07 0.00 0.00 179.01 178.17 2crb h LEU 63 N 0.00 0.00 -1.04 3.06 3.38 -1.62 -3.32 115.31 115.77 2crb h LEU 63 Ca 0.02 -0.17 0.26 0.00 0.09 0.00 0.00 57.88 58.08 2crb h LEU 63 Cb 1.08 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 2crb h LEU 63 CO -0.00 0.93 0.60 -0.61 0.09 0.00 0.00 178.44 179.45 2crb h GLN 64 N -1.00 0.52 -0.72 1.13 5.75 -1.28 0.41 115.11 119.92 2crb h GLN 64 Ca -0.09 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2crb h GLN 64 Cb 0.69 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 2crb h GLN 64 CO -0.06 0.34 0.39 -0.09 -2.65 0.00 0.00 178.83 176.77 2crb h ARG 65 N 0.53 0.99 0.00 1.69 2.43 -1.44 -3.15 114.38 115.44 2crb h ARG 65 Ca 0.66 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2crb h ARG 65 Cb 1.32 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2crb h ARG 65 CO -0.48 0.73 0.00 -3.47 -1.51 0.00 0.00 179.97 175.24 2crb n ASP 66 N -4.36 0.00 0.16 -3.80 -0.08 0.15 -1.19 116.55 107.43 2crb n ASP 66 Ca 0.07 0.87 -0.15 0.00 -1.51 0.00 0.00 54.79 54.07 2crb n ASP 66 Cb 0.10 -0.42 -0.08 0.00 2.34 0.00 0.00 41.12 43.06 2crb n ASP 66 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2crb h SER 67 N 0.00 -1.23 -1.36 1.67 4.64 -1.67 0.14 113.55 115.74 2crb h SER 67 Ca 0.00 0.13 0.40 0.00 -0.47 0.00 0.00 61.79 61.84 2crb h SER 67 Cb 0.00 0.45 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 2crb h SER 67 CO 0.00 -0.52 1.20 1.41 -0.87 0.00 0.00 176.83 178.05 2crb n HIS 68 N -5.48 0.00 -0.09 4.77 8.25 -0.73 0.15 115.22 122.09 2crb n HIS 68 Ca -0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.19 2crb n HIS 68 Cb 0.39 -0.34 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 2crb n HIS 68 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2crb n MET 69 N -3.39 0.69 -0.30 -0.41 2.81 -0.26 -3.86 117.12 112.40 2crb n MET 69 Ca 0.31 0.18 0.12 0.00 -1.81 0.00 0.00 57.70 56.50 2crb n MET 69 Cb 1.61 -1.58 0.36 0.00 -0.71 0.00 0.00 33.22 32.89 2crb n MET 69 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2crb h LYS 70 N 0.02 0.71 0.00 0.03 2.10 0.40 0.13 116.57 119.97 2crb h LYS 70 Ca -0.53 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 57.93 2crb h LYS 70 Cb 1.95 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 33.09 2crb h LYS 70 CO -0.03 0.47 -0.71 1.96 -2.00 0.00 0.00 179.45 179.14 2crb h GLN 71 N 0.73 0.00 -0.09 0.07 1.08 -1.35 -3.06 115.11 112.50 2crb h GLN 71 Ca 0.49 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.67 2crb h GLN 71 Cb 0.77 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2crb h GLN 71 CO -0.25 0.71 0.00 1.25 -0.95 0.00 0.00 178.83 179.59 2crb h LEU 72 N 0.00 0.15 -1.58 1.46 5.85 -0.90 0.34 115.31 120.64 2crb h LEU 72 Ca -0.01 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 2crb h LEU 72 Cb 1.36 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2crb h LEU 72 CO 0.09 0.42 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.41 2crb h LEU 73 N -0.12 0.09 0.20 2.25 3.38 -1.36 -1.03 115.31 118.71 2crb h LEU 73 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2crb h LEU 73 Cb 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2crb h LEU 73 CO 0.00 0.24 -0.09 -0.07 0.09 0.00 0.00 178.44 178.61 2crb h LEU 74 N 0.09 -0.22 -1.50 1.67 3.38 -1.40 -2.93 115.31 114.40 2crb h LEU 74 Ca 0.02 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.94 2crb h LEU 74 Cb 0.31 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2crb h LEU 74 CO 0.02 0.31 0.50 0.40 0.09 0.00 0.00 178.44 179.76 2crb h ILE 75 N -1.01 0.84 0.79 1.22 2.04 -0.88 0.17 117.51 120.68 2crb h ILE 75 Ca -0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2crb h ILE 75 Cb 0.39 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2crb h ILE 75 CO 0.04 0.09 -0.38 1.56 0.00 0.00 0.00 178.15 179.47 2crb h GLN 76 N 0.52 -1.03 -0.20 2.37 4.20 -1.26 -2.45 115.11 117.26 2crb h GLN 76 Ca 0.37 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.11 2crb h GLN 76 Cb 0.71 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 2crb h GLN 76 CO -0.13 -0.67 -0.03 1.05 -0.67 0.00 0.00 178.83 178.38 2crb h GLU 77 N -1.18 0.30 0.00 1.46 4.11 -1.26 -1.26 114.58 116.75 2crb h GLU 77 Ca -0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2crb h GLU 77 Cb 0.83 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2crb h GLU 77 CO 0.18 0.36 0.00 0.00 0.07 0.00 0.00 179.01 179.62 2crb h ARG 78 N 0.30 0.00 0.00 1.06 2.47 -0.55 -2.61 114.38 115.05 2crb h ARG 78 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2crb h ARG 78 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2crb h ARG 78 CO 0.01 0.00 -0.26 1.87 0.56 0.00 0.00 179.97 182.15 2crb n TRP 79 N -3.01 0.35 0.00 3.04 -0.00 -0.52 -2.99 117.44 114.32 2crb n TRP 79 Ca -0.01 0.15 0.20 0.00 -0.00 0.00 0.00 57.50 57.84 2crb n TRP 79 Cb 0.17 -0.44 0.45 0.00 -0.00 0.00 0.00 31.31 31.49 2crb n TRP 79 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2crb h LYS 80 N -0.45 0.00 0.09 5.87 2.10 -1.50 0.64 116.57 123.32 2crb h LYS 80 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 2crb h LYS 80 Cb 0.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2crb h LYS 80 CO 0.00 0.00 -1.47 0.00 -2.00 0.00 0.00 179.45 175.98 2crb h ARG 81 N 0.00 0.19 -0.05 0.07 3.08 -1.64 -3.34 114.38 112.69 2crb h ARG 81 Ca 0.29 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2crb h ARG 81 Cb 2.17 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 32.34 2crb h ARG 81 CO -0.00 1.16 0.09 0.00 -1.07 0.00 0.00 179.97 180.14 2crb h ALA 82 N -0.12 1.44 -0.82 0.04 0.00 0.34 -1.01 119.26 119.14 2crb h ALA 82 Ca -0.33 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2crb h ALA 82 Cb 1.70 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2crb h ALA 82 CO 0.01 -0.12 0.50 0.87 0.00 0.00 0.00 179.25 180.50 2crb h LYS 83 N 0.00 0.88 0.09 0.00 1.79 -1.42 0.11 116.57 118.02 2crb h LYS 83 Ca 0.03 -0.05 -0.37 0.00 -2.18 0.00 0.00 60.65 58.07 2crb h LYS 83 Cb 0.21 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2crb h LYS 83 CO -0.00 0.58 -2.10 2.89 -1.08 0.00 0.00 179.45 179.74 2crb n ARG 84 N -4.66 0.73 0.36 3.15 1.85 -0.70 -3.93 116.66 113.46 2crb n ARG 84 Ca 0.12 0.24 -0.14 0.00 -1.00 0.00 0.00 57.85 57.07 2crb n ARG 84 Cb 0.18 -1.66 -0.07 0.00 -1.05 0.00 0.00 32.46 29.86 2crb n ARG 84 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2crb h GLU 85 N 0.01 -0.88 -0.91 2.89 4.39 -1.15 -2.93 114.58 115.99 2crb h GLU 85 Ca -0.46 0.06 0.25 0.00 0.34 0.00 0.00 59.36 59.55 2crb h GLU 85 Cb 1.98 0.20 -0.14 0.00 -0.10 0.00 0.00 28.75 30.69 2crb h GLU 85 CO 0.03 -0.59 0.35 1.49 -1.16 0.00 0.00 179.01 179.14 2crb h GLU 86 N -0.92 0.28 -0.61 2.33 4.81 -1.00 0.16 114.58 119.63 2crb h GLU 86 Ca -0.09 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.24 2crb h GLU 86 Cb 0.70 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.92 2crb h GLU 86 CO 0.15 0.18 0.02 0.00 -0.73 0.00 0.00 179.01 178.64 2crb h ARG 87 N 0.28 0.14 -0.95 1.92 2.47 -1.64 0.26 114.38 116.86 2crb h ARG 87 Ca 0.60 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.32 2crb h ARG 87 Cb 1.23 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.47 2crb h ARG 87 CO -0.61 0.09 0.63 -0.07 0.56 0.00 0.00 179.97 180.56 2crb h LEU 88 N 0.14 1.08 -3.45 3.04 -0.00 -0.52 -1.36 115.31 114.24 2crb h LEU 88 Ca 0.32 -0.03 -0.23 0.00 -0.00 0.00 0.00 57.88 57.94 2crb h LEU 88 Cb 0.51 -0.27 -0.14 0.00 -0.00 0.00 0.00 40.66 40.76 2crb h LEU 88 CO -0.50 0.78 0.30 2.29 -0.00 0.00 0.00 178.44 181.30 2crb n LYS 89 N -4.40 3.12 -4.30 1.13 2.85 0.11 -4.93 118.16 111.75 2crb n LYS 89 Ca 0.11 -2.61 -0.25 0.00 -1.05 0.00 0.00 58.31 54.52 2crb n LYS 89 Cb 0.02 -2.07 -0.08 0.00 -0.65 0.00 0.00 35.03 32.25 2crb n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2crb s ALA 90 N -2.65 3.07 -0.25 0.58 0.00 0.69 -5.00 121.76 118.20 2crb s ALA 90 Ca 0.47 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2crb s ALA 90 Cb 0.38 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.82 2crb s ALA 90 CO 0.11 0.35 -0.03 -1.58 0.00 0.00 0.00 175.76 174.62 2crb s HIS 91 N -2.09 2.42 -0.01 0.00 2.46 -1.26 -4.98 115.29 111.83 2crb s HIS 91 Ca 0.29 -1.84 0.00 0.00 0.47 0.00 0.00 55.06 53.98 2crb s HIS 91 Cb -0.07 -1.70 0.02 0.00 -0.13 0.00 0.00 32.58 30.69 2crb s HIS 91 CO 0.18 -0.80 0.00 -1.54 -2.47 0.00 0.00 174.74 170.12 2crb s SER 92 N 1.38 0.21 0.00 9.88 1.04 -1.26 -5.04 113.70 119.92 2crb s SER 92 Ca -0.03 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2crb s SER 92 Cb -0.19 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2crb s SER 92 CO -0.08 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2crb n GLY 93 N 3.68 -0.83 0.25 7.32 0.00 -1.26 -4.88 105.19 109.46 2crb n GLY 93 Ca -0.21 0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2crb n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crb h PRO 94 N 0.00 0.00 0.16 1.61 0.13 -2.05 -3.14 132.00 128.72 2crb h PRO 94 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 2crb h PRO 94 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2crb h PRO 94 CO 0.00 0.12 -1.28 0.66 -0.23 0.00 0.00 178.00 177.27 2crb h SER 95 N 0.00 0.54 -3.60 1.44 4.64 -1.97 -3.43 113.55 111.17 2crb h SER 95 Ca -0.00 -0.91 -0.63 0.00 -0.47 0.00 0.00 61.79 59.77 2crb h SER 95 Cb 0.58 -0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 62.36 2crb h SER 95 CO 0.02 1.59 0.28 -0.94 -0.87 0.00 0.00 176.83 176.91 2crb s SER 96 N -7.16 6.41 0.00 4.97 1.04 -1.19 -5.19 113.70 112.58 2crb s SER 96 Ca -0.15 -0.09 0.27 0.00 0.48 0.00 0.00 55.95 56.46 2crb s SER 96 Cb 0.03 -2.37 0.84 0.00 0.10 0.00 0.00 66.02 64.63 2crb s SER 96 CO 0.84 -0.83 1.63 0.61 0.98 0.00 0.00 173.24 176.46