#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crb s SER 2 N 0.00 7.15 -0.28 1.61 0.15 -1.26 -5.04 113.70 116.03 2crb s SER 2 Ca 0.00 1.38 0.02 0.00 0.70 0.00 0.00 55.95 58.05 2crb s SER 2 Cb 0.00 -2.46 0.08 0.00 -1.71 0.00 0.00 66.02 61.92 2crb s SER 2 CO 0.00 -0.08 -0.01 -0.55 1.20 0.00 0.00 173.24 173.80 2crb s SER 3 N 0.45 4.28 0.00 5.45 0.15 -1.26 -5.02 113.70 117.75 2crb s SER 3 Ca 0.40 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2crb s SER 3 Cb -0.19 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2crb s SER 3 CO 0.22 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2crb n GLY 4 N 4.52 1.06 0.07 9.45 0.00 -1.26 -5.09 105.19 113.94 2crb n GLY 4 Ca -0.06 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 2crb n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2crb h SER 5 N 0.00 0.00 -4.20 1.61 0.87 -2.04 -3.49 113.55 106.30 2crb h SER 5 Ca 0.00 -0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.29 2crb h SER 5 Cb 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.06 2crb h SER 5 CO 0.00 0.79 -0.46 -0.24 -0.53 0.00 0.00 176.83 176.39 2crb n SER 6 N -4.61 -3.49 0.00 6.23 2.88 -1.26 -4.99 113.62 108.38 2crb n SER 6 Ca -0.08 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 2crb n SER 6 Cb 0.28 -3.42 0.00 0.00 -0.75 0.00 0.00 64.21 60.31 2crb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crb n GLY 7 N -1.29 4.77 3.57 0.46 0.00 -1.26 -4.98 105.19 106.46 2crb n GLY 7 Ca -0.08 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2crb n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crb s MET 8 N 3.92 3.30 -0.46 1.61 0.00 -1.26 -4.88 119.30 121.53 2crb s MET 8 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 55.69 54.16 2crb s MET 8 Cb 0.00 -5.34 0.03 0.00 0.00 0.00 0.00 34.83 29.52 2crb s MET 8 CO 0.00 -2.80 1.11 -1.21 0.00 0.00 0.00 175.02 172.12 2crb s GLU 9 N 5.42 3.73 0.00 4.11 2.02 -1.26 -4.01 118.70 128.71 2crb s GLU 9 Ca 0.57 0.56 0.00 0.00 0.02 0.00 0.00 54.97 56.12 2crb s GLU 9 Cb -0.00 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.33 2crb s GLU 9 CO 0.02 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.38 2crb n GLY 10 N 4.78 0.85 0.08 -1.39 0.00 -1.26 -4.91 105.19 103.33 2crb n GLY 10 Ca 0.11 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 0.11 0.05 1.61 -0.04 -1.26 -2.88 135.00 132.59 2crb n PRO 11 Ca 0.00 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2crb n PRO 11 Cb 0.00 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.73 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 -0.16 -1.06 1.53 3.38 -1.92 -3.05 115.31 114.03 2crb h LEU 12 Ca 0.00 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2crb h LEU 12 Cb 0.31 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2crb h LEU 12 CO 0.00 0.12 0.62 -1.13 0.09 0.00 0.00 178.44 178.15 2crb h ASN 13 N -0.66 0.90 0.07 -0.43 -0.73 -1.89 0.13 115.58 112.97 2crb h ASN 13 Ca -0.02 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 2crb h ASN 13 Cb 0.14 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 2crb h ASN 13 CO 0.03 0.50 -0.03 -0.07 -0.37 0.00 0.00 177.43 177.50 2crb h LEU 14 N 0.98 0.00 0.00 0.34 3.38 -1.65 0.42 115.31 118.78 2crb h LEU 14 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2crb h LEU 14 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2crb h LEU 14 CO -0.23 0.03 -0.36 0.00 0.09 0.00 0.00 178.44 177.97 2crb n ALA 15 N -2.35 2.84 0.12 1.53 0.00 0.42 -3.78 120.51 119.29 2crb n ALA 15 Ca -0.03 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 2crb n ALA 15 Cb 0.12 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.15 2crb n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2crb h HIS 16 N 0.00 0.72 -0.34 0.00 3.86 -0.55 -2.91 115.15 115.93 2crb h HIS 16 Ca 0.00 -0.53 0.10 0.00 -1.16 0.00 0.00 60.37 58.78 2crb h HIS 16 Cb 0.64 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2crb h HIS 16 CO 0.00 1.42 0.34 -0.56 0.86 0.00 0.00 177.93 179.99 2crb h GLN 17 N 0.11 0.00 0.00 2.45 3.07 -1.62 -0.67 115.11 118.45 2crb h GLN 17 Ca -0.20 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.39 2crb h GLN 17 Cb 2.07 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.61 2crb h GLN 17 CO 0.24 0.00 -0.97 1.96 0.09 0.00 0.00 178.83 180.14 2crb h GLN 18 N 0.00 0.00 -1.01 0.06 4.20 -1.75 -3.34 115.11 113.27 2crb h GLN 18 Ca 0.16 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.11 2crb h GLN 18 Cb 0.84 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.52 2crb h GLN 18 CO -0.00 0.66 0.64 1.03 -0.67 0.00 0.00 178.83 180.49 2crb h SER 19 N -1.00 0.54 -0.42 1.46 0.87 -1.26 0.38 113.55 114.12 2crb h SER 19 Ca -0.22 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2crb h SER 19 Cb 1.02 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2crb h SER 19 CO -0.14 0.14 0.16 0.08 -0.53 0.00 0.00 176.83 176.54 2crb h ARG 20 N 0.49 0.70 -0.11 2.24 0.11 -1.30 -2.86 114.38 113.65 2crb h ARG 20 Ca 0.58 -0.11 -0.01 0.00 0.10 0.00 0.00 59.98 60.54 2crb h ARG 20 Cb 1.30 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 2crb h ARG 20 CO -0.32 0.60 0.03 -0.09 0.10 0.00 0.00 179.97 180.30 2crb h ARG 21 N 0.69 0.17 -0.76 0.08 2.43 -0.38 -3.02 114.38 113.60 2crb h ARG 21 Ca 0.16 -0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.47 2crb h ARG 21 Cb 0.19 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.59 2crb h ARG 21 CO -0.01 0.33 0.03 0.00 -1.51 0.00 0.00 179.97 178.80 2crb h ALA 22 N 0.84 0.81 0.46 2.80 0.00 -1.26 -0.08 119.26 122.84 2crb h ALA 22 Ca 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2crb h ALA 22 Cb 0.23 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2crb h ALA 22 CO -0.00 -0.42 -0.45 0.22 0.00 0.00 0.00 179.25 178.60 2crb h ASP 23 N 0.12 -1.23 -0.88 0.00 3.58 -1.49 0.15 116.42 116.67 2crb h ASP 23 Ca 0.42 0.10 0.22 0.00 0.42 0.00 0.00 57.03 58.19 2crb h ASP 23 Cb 0.74 0.40 -0.05 0.00 1.72 0.00 0.00 39.33 42.14 2crb h ASP 23 CO -0.65 -0.60 0.60 0.03 -2.88 0.00 0.00 179.24 175.74 2crb h ARG 24 N -0.90 0.23 -0.10 0.28 2.47 -1.26 0.24 114.38 115.35 2crb h ARG 24 Ca -0.06 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.47 2crb h ARG 24 Cb 0.78 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2crb h ARG 24 CO -0.05 0.16 -0.70 -0.07 0.56 0.00 0.00 179.97 179.87 2crb h LEU 25 N 0.24 0.52 -1.07 3.04 3.38 -0.21 -3.10 115.31 118.11 2crb h LEU 25 Ca 0.45 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2crb h LEU 25 Cb 1.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2crb h LEU 25 CO -0.11 1.06 -0.33 0.25 0.09 0.00 0.00 178.44 179.40 2crb h LEU 26 N 0.31 0.24 -1.00 1.67 5.85 0.23 0.62 115.31 123.22 2crb h LEU 26 Ca -0.03 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 2crb h LEU 26 Cb 1.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2crb h LEU 26 CO 0.12 0.56 -0.37 0.00 -0.34 0.00 0.00 178.44 178.42 2crb h ALA 27 N 1.46 1.16 -0.32 1.25 0.00 -1.27 -2.51 119.26 119.01 2crb h ALA 27 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2crb h ALA 27 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2crb h ALA 27 CO 0.05 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2crb n ALA 28 N -2.48 3.22 -0.99 0.00 0.00 -1.03 -4.85 120.51 114.39 2crb n ALA 28 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2crb n ALA 28 Cb 0.45 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.40 0.25 2.44 0.00 0.00 -0.95 -4.89 105.19 102.44 2crb n GLY 29 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.94 3.91 0.23 1.61 4.76 0.21 -4.73 118.16 123.21 2crb n LYS 30 Ca 0.00 -2.74 -0.13 0.00 -2.87 0.00 0.00 58.31 52.57 2crb n LYS 30 Cb 0.25 -2.80 -0.07 0.00 -1.84 0.00 0.00 35.03 30.57 2crb n LYS 30 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2crb h TYR 31 N 5.02 -0.99 -0.19 2.13 0.05 -1.87 -2.78 116.97 118.34 2crb h TYR 31 Ca 0.76 0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.58 2crb h TYR 31 Cb 0.35 0.38 -0.07 0.00 1.01 0.00 0.00 36.73 38.40 2crb h TYR 31 CO 1.71 -0.49 -0.49 1.05 -1.05 0.00 0.00 178.16 178.89 2crb h GLU 32 N -0.76 -0.50 -1.40 4.88 4.11 -1.91 0.13 114.58 119.13 2crb h GLU 32 Ca -0.05 0.03 0.47 0.00 0.07 0.00 0.00 59.36 59.88 2crb h GLU 32 Cb 0.64 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 2crb h GLU 32 CO -0.02 -0.33 0.92 0.39 0.07 0.00 0.00 179.01 180.04 2crb n GLU 33 N -5.43 -0.03 0.07 1.06 -0.58 -1.18 0.13 120.64 114.67 2crb n GLU 33 Ca -0.05 1.17 -0.22 0.00 -0.42 0.00 0.00 57.16 57.64 2crb n GLU 33 Cb 0.37 -2.35 -0.15 0.00 -0.57 0.00 0.00 31.44 28.74 2crb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crb h ALA 34 N 1.42 0.03 -0.67 0.62 0.00 -0.55 -3.12 119.26 116.99 2crb h ALA 34 Ca 0.85 -0.95 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2crb h ALA 34 Cb 2.84 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 20.83 2crb h ALA 34 CO -0.38 0.73 -0.42 0.82 0.00 0.00 0.00 179.25 180.00 2crb h ILE 35 N -0.12 0.08 -0.23 0.00 2.04 0.29 0.19 117.51 119.76 2crb h ILE 35 Ca -0.26 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 2crb h ILE 35 Cb 1.91 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2crb h ILE 35 CO 0.16 0.00 -0.31 0.77 0.00 0.00 0.00 178.15 178.77 2crb h SER 36 N -0.17 0.48 -0.85 1.72 4.64 -1.62 -2.87 113.55 114.89 2crb h SER 36 Ca 0.21 -0.18 0.12 0.00 -0.47 0.00 0.00 61.79 61.47 2crb h SER 36 Cb 0.56 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 2crb h SER 36 CO -0.75 0.77 0.55 0.00 -0.87 0.00 0.00 176.83 176.53 2crb h HIS 38 N 0.73 0.86 -0.54 0.00 -0.00 -0.93 -3.13 115.15 112.13 2crb h HIS 38 Ca 0.41 -0.38 0.16 0.00 -0.00 0.00 0.00 60.37 60.56 2crb h HIS 38 Cb 0.58 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.84 2crb h HIS 38 CO -0.00 1.18 0.41 0.00 -0.00 0.00 0.00 177.93 179.52 2crb h ARG 39 N 0.29 0.00 0.34 2.45 3.08 -1.17 -1.87 114.38 117.49 2crb h ARG 39 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2crb h ARG 39 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2crb h ARG 39 CO 0.13 0.00 -0.16 0.87 -1.07 0.00 0.00 179.97 179.74 2crb h LYS 40 N 0.00 -0.44 -0.19 0.04 6.56 -1.39 -2.72 116.57 118.43 2crb h LYS 40 Ca 0.26 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.93 2crb h LYS 40 Cb 1.07 0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.78 2crb h LYS 40 CO -0.00 -0.11 -0.13 0.00 -2.06 0.00 0.00 179.45 177.15 2crb h ALA 41 N -0.37 0.02 -0.99 3.86 0.00 -1.41 -1.43 119.26 118.94 2crb h ALA 41 Ca -0.05 0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.13 2crb h ALA 41 Cb 0.52 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2crb h ALA 41 CO 0.08 -0.56 0.61 1.79 0.00 0.00 0.00 179.25 181.17 2crb h THR 42 N -0.12 0.70 -0.74 0.00 1.35 -1.44 0.93 112.91 113.59 2crb h THR 42 Ca 0.11 -0.24 -0.06 0.00 -0.55 0.00 0.00 66.41 65.67 2crb h THR 42 Cb 0.29 -0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 66.61 2crb h THR 42 CO -0.27 0.13 0.21 0.74 -0.25 0.00 0.00 175.52 176.07 2crb h THR 43 N 0.71 1.26 0.04 6.82 2.02 -0.94 -1.58 112.91 121.25 2crb h THR 43 Ca 0.57 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2crb h THR 43 Cb 0.96 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2crb h THR 43 CO -0.35 0.37 -0.02 0.22 0.37 0.00 0.00 175.52 176.11 2crb h TYR 44 N 1.11 -0.05 -0.91 3.16 3.20 -0.39 -2.89 116.97 120.19 2crb h TYR 44 Ca 0.23 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.21 2crb h TYR 44 Cb 0.34 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 2crb h TYR 44 CO 0.03 0.39 0.58 -0.07 -1.64 0.00 0.00 178.16 177.45 2crb h LEU 45 N -0.52 0.81 -1.77 2.82 3.38 -1.01 0.17 115.31 119.20 2crb h LEU 45 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2crb h LEU 45 Cb 0.47 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2crb h LEU 45 CO 0.01 0.47 -0.08 0.28 0.09 0.00 0.00 178.44 179.21 2crb h SER 46 N 0.89 0.00 1.28 -0.43 0.02 -1.25 -2.10 113.55 111.96 2crb h SER 46 Ca 0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.31 2crb h SER 46 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2crb h SER 46 CO -0.19 0.08 -0.74 -0.33 -1.14 0.00 0.00 176.83 174.51 2crb h GLU 47 N 0.00 0.00 0.07 3.45 4.39 -0.46 -3.14 114.58 118.89 2crb h GLU 47 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2crb h GLU 47 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2crb h GLU 47 CO 0.01 0.19 -0.03 0.00 -1.16 0.00 0.00 179.01 178.02 2crb h ALA 48 N 1.74 -0.09 0.00 3.43 0.00 -0.69 -3.27 119.26 120.38 2crb h ALA 48 Ca -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2crb h ALA 48 Cb 1.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2crb h ALA 48 CO 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 179.25 178.99 2crb h MET 49 N -0.86 0.00 0.00 0.00 -0.00 -1.65 -1.19 114.93 111.23 2crb h MET 49 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2crb h MET 49 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2crb h MET 49 CO 0.02 0.12 0.00 1.63 -0.00 0.00 0.00 176.91 178.68 2crb n LYS 50 N -3.71 0.38 -0.00 -0.10 5.02 -1.19 -3.62 118.16 114.94 2crb n LYS 50 Ca -0.02 0.07 -0.03 0.00 -2.02 0.00 0.00 58.31 56.31 2crb n LYS 50 Cb 0.24 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.15 0.65 -4.72 -0.35 4.77 -0.51 -5.02 117.00 110.67 2crb n LEU 51 Ca 0.10 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 2crb n LEU 51 Cb 0.10 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2crb n LEU 51 CO 0.11 -0.22 1.36 1.07 -1.33 0.00 0.00 177.39 178.39 2crb n THR 52 N -3.35 0.00 -0.45 -5.08 5.66 -0.84 -4.88 114.28 105.33 2crb n THR 52 Ca -0.06 -0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.05 2crb n THR 52 Cb 0.37 -1.96 0.31 0.00 -1.55 0.00 0.00 70.33 67.51 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 3.93 3.09 -3.05 1.09 -0.58 -1.26 -4.86 120.64 119.00 2crb n GLU 53 Ca 0.16 -2.68 -0.24 0.00 -0.42 0.00 0.00 57.16 53.99 2crb n GLU 53 Cb 0.34 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2crb n GLU 53 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2crb s SER 54 N -1.00 6.02 -0.13 1.62 0.15 -1.26 -5.05 113.70 114.05 2crb s SER 54 Ca 0.47 0.43 -0.09 0.00 0.70 0.00 0.00 55.95 57.46 2crb s SER 54 Cb 0.27 -1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 62.73 2crb s SER 54 CO 0.28 -0.57 0.05 -0.08 1.20 0.00 0.00 173.24 174.12 2crb h GLU 55 N 0.47 0.00 -0.07 5.44 4.81 -1.99 -3.23 114.58 120.01 2crb h GLU 55 Ca -0.47 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2crb h GLU 55 Cb 1.24 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2crb h GLU 55 CO 0.59 0.22 -0.49 1.96 -0.73 0.00 0.00 179.01 180.56 2crb h GLN 56 N -1.00 -0.55 -0.38 1.92 1.08 -1.99 0.35 115.11 114.55 2crb h GLN 56 Ca -0.03 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2crb h GLN 56 Cb 0.43 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.89 2crb h GLN 56 CO -0.02 -0.36 -0.49 0.00 -0.95 0.00 0.00 178.83 177.00 2crb h ALA 57 N -0.46 -0.61 -0.44 3.87 0.00 -1.90 -0.81 119.26 118.91 2crb h ALA 57 Ca 0.02 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2crb h ALA 57 Cb 0.64 1.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2crb h ALA 57 CO -0.37 -0.96 -0.22 1.25 0.00 0.00 0.00 179.25 178.95 2crb h HIS 58 N -0.38 -0.58 -0.14 0.00 -0.00 -1.48 -2.05 115.15 110.52 2crb h HIS 58 Ca 0.10 0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.57 2crb h HIS 58 Cb 0.60 0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 28.27 2crb h HIS 58 CO -0.66 -0.30 -0.38 -0.07 -0.00 0.00 0.00 177.93 176.51 2crb h LEU 59 N -0.14 -1.19 -1.33 0.26 4.07 0.15 0.20 115.31 117.33 2crb h LEU 59 Ca 0.21 0.16 0.28 0.00 0.08 0.00 0.00 57.88 58.62 2crb h LEU 59 Cb 0.46 0.49 -0.04 0.00 1.08 0.00 0.00 40.66 42.66 2crb h LEU 59 CO -0.52 -0.40 1.07 0.28 -1.08 0.00 0.00 178.44 177.79 2crb h SER 60 N -0.45 0.00 0.00 -0.43 0.02 -0.45 0.21 113.55 112.45 2crb h SER 60 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2crb h SER 60 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2crb h SER 60 CO -0.38 0.00 -0.31 0.18 -1.14 0.00 0.00 176.83 175.18 2crb n LEU 61 N -3.40 0.96 -0.52 5.07 4.77 0.52 -3.28 117.00 121.12 2crb n LEU 61 Ca 0.22 0.41 0.43 0.00 -0.03 0.00 0.00 56.01 57.03 2crb n LEU 61 Cb 1.38 -0.68 0.71 0.00 -2.33 0.00 0.00 43.42 42.50 2crb n LEU 61 CO 0.26 -0.47 1.30 1.05 -1.33 0.00 0.00 177.39 178.20 2crb h GLU 62 N -0.52 0.02 0.01 3.23 4.11 -0.16 0.94 114.58 122.20 2crb h GLU 62 Ca 0.00 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2crb h GLU 62 Cb 0.31 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2crb h GLU 62 CO 0.00 0.01 -0.49 -0.07 0.07 0.00 0.00 179.01 178.53 2crb h LEU 63 N 0.02 0.42 -0.55 3.06 3.38 -1.18 -3.22 115.31 117.24 2crb h LEU 63 Ca 0.88 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2crb h LEU 63 Cb 3.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 43.61 2crb h LEU 63 CO -0.35 1.15 0.26 -0.61 0.09 0.00 0.00 178.44 178.99 2crb h GLN 64 N -0.26 0.80 -0.86 1.13 5.75 0.75 -2.49 115.11 119.92 2crb h GLN 64 Ca -0.06 -0.12 0.16 0.00 -0.15 0.00 0.00 58.65 58.48 2crb h GLN 64 Cb 1.23 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.57 2crb h GLN 64 CO 0.10 0.65 0.56 -0.09 -2.65 0.00 0.00 178.83 177.40 2crb h ARG 65 N 0.74 0.55 -0.34 1.69 2.43 -0.71 -2.23 114.38 116.52 2crb h ARG 65 Ca 0.19 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2crb h ARG 65 Cb 0.12 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 2crb h ARG 65 CO -0.02 0.36 -0.44 0.22 -1.51 0.00 0.00 179.97 178.57 2crb h ASP 66 N 0.56 -1.46 0.62 -3.80 3.58 -1.45 -2.01 116.42 112.47 2crb h ASP 66 Ca 0.44 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 58.07 2crb h ASP 66 Cb 0.86 0.62 0.01 0.00 1.72 0.00 0.00 39.33 42.53 2crb h ASP 66 CO -0.18 -0.39 -0.30 0.77 -2.88 0.00 0.00 179.24 176.26 2crb h SER 67 N -0.38 -0.71 -1.52 2.28 4.64 -1.52 0.16 113.55 116.50 2crb h SER 67 Ca 0.11 -0.00 0.44 0.00 -0.47 0.00 0.00 61.79 61.87 2crb h SER 67 Cb 0.60 0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.81 2crb h SER 67 CO -0.53 -0.45 1.28 1.41 -0.87 0.00 0.00 176.83 177.67 2crb n HIS 68 N -5.42 0.00 -0.10 4.77 8.25 -1.02 0.88 115.22 122.59 2crb n HIS 68 Ca -0.13 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.12 2crb n HIS 68 Cb 0.35 -0.38 -0.12 0.00 1.12 0.00 0.00 29.99 30.96 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 -3.55 0.66 -0.29 -0.41 2.00 -0.79 -3.78 117.12 110.98 2crb n MET 69 Ca 0.34 0.22 0.21 0.00 0.00 0.00 0.00 57.70 58.47 2crb n MET 69 Cb 1.74 -1.58 0.52 0.00 0.00 0.00 0.00 33.22 33.90 2crb n MET 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 2crb h LYS 70 N -0.18 0.38 0.07 0.03 2.10 0.35 0.24 116.57 119.56 2crb h LYS 70 Ca -0.55 -0.02 -0.25 0.00 -2.00 0.00 0.00 60.65 57.83 2crb h LYS 70 Cb 1.86 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 33.09 2crb h LYS 70 CO -0.10 0.25 -1.14 1.96 -2.00 0.00 0.00 179.45 178.42 2crb h GLN 71 N 0.39 0.15 -0.45 0.07 1.08 -1.37 -3.02 115.11 111.97 2crb h GLN 71 Ca 0.53 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2crb h GLN 71 Cb 1.36 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.87 2crb h GLN 71 CO -0.23 1.12 0.17 1.25 -0.95 0.00 0.00 178.83 180.19 2crb h LEU 72 N 0.04 0.62 -0.99 1.46 5.85 -0.67 0.88 115.31 122.51 2crb h LEU 72 Ca -0.08 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 2crb h LEU 72 Cb 1.88 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2crb h LEU 72 CO 0.17 0.63 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.37 2crb h LEU 73 N 0.58 0.09 -0.01 2.25 3.38 -1.28 -2.36 115.31 117.96 2crb h LEU 73 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2crb h LEU 73 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2crb h LEU 73 CO -0.01 0.55 -0.04 -0.07 0.09 0.00 0.00 178.44 178.96 2crb h LEU 74 N 0.07 0.05 -0.51 1.67 3.38 -1.34 -3.17 115.31 115.47 2crb h LEU 74 Ca 0.00 -0.66 0.04 0.00 0.09 0.00 0.00 57.88 57.35 2crb h LEU 74 Cb 0.86 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2crb h LEU 74 CO 0.06 0.70 0.27 0.40 0.09 0.00 0.00 178.44 179.96 2crb h ILE 75 N -0.61 0.98 -0.13 1.22 2.04 -0.83 -1.08 117.51 119.11 2crb h ILE 75 Ca -0.00 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.71 2crb h ILE 75 Cb 0.70 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2crb h ILE 75 CO 0.01 0.10 -0.49 1.56 0.00 0.00 0.00 178.15 179.32 2crb h GLN 76 N 0.52 -0.53 -0.95 2.37 4.20 -1.50 0.18 115.11 119.41 2crb h GLN 76 Ca 0.22 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.99 2crb h GLN 76 Cb 0.11 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2crb h GLN 76 CO -0.14 -0.36 0.62 1.05 -0.67 0.00 0.00 178.83 179.33 2crb h GLU 77 N -0.55 1.21 0.00 1.46 4.11 -1.48 -0.82 114.58 118.50 2crb h GLU 77 Ca 0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2crb h GLU 77 Cb 0.67 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2crb h GLU 77 CO -0.42 0.80 -0.07 0.00 0.07 0.00 0.00 179.01 179.39 2crb h ARG 78 N 1.24 0.00 0.01 1.06 2.47 -0.07 -2.85 114.38 116.25 2crb h ARG 78 Ca 0.36 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.08 2crb h ARG 78 Cb -0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2crb h ARG 78 CO -0.10 0.07 -0.01 2.35 0.56 0.00 0.00 179.97 182.84 2crb h TRP 79 N 0.00 -0.02 -0.58 3.04 7.01 0.76 -2.57 115.95 123.60 2crb h TRP 79 Ca -0.00 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.11 2crb h TRP 79 Cb 0.18 0.01 -0.11 0.00 -2.10 0.00 0.00 29.16 27.13 2crb h TRP 79 CO 0.00 0.78 -0.24 0.87 -2.79 0.00 0.00 178.44 177.06 2crb h LYS 80 N -0.92 -0.09 -0.33 2.65 1.57 -1.19 0.16 116.57 118.43 2crb h LYS 80 Ca -0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2crb h LYS 80 Cb 0.80 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2crb h LYS 80 CO 0.00 -0.06 -0.18 0.00 -0.57 0.00 0.00 179.45 178.64 2crb h ARG 81 N -0.09 0.61 0.00 3.15 3.08 -1.65 -2.30 114.38 117.18 2crb h ARG 81 Ca 0.26 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2crb h ARG 81 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2crb h ARG 81 CO -0.64 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 2crb h ALA 82 N 1.26 1.00 -0.30 0.04 0.00 -0.34 -2.39 119.26 118.52 2crb h ALA 82 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2crb h ALA 82 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2crb h ALA 82 CO 0.04 0.00 0.15 0.87 0.00 0.00 0.00 179.25 180.31 2crb h LYS 83 N 0.00 0.43 0.25 0.00 1.79 -0.36 -0.40 116.57 118.29 2crb h LYS 83 Ca 0.00 -0.06 -0.34 0.00 -2.18 0.00 0.00 60.65 58.07 2crb h LYS 83 Cb 0.28 -0.08 0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2crb h LYS 83 CO 0.00 0.40 -1.54 0.07 -1.08 0.00 0.00 179.45 177.30 2crb h ARG 84 N 0.36 0.52 -0.82 3.15 0.11 -1.63 -3.29 114.38 112.77 2crb h ARG 84 Ca 0.10 -0.89 0.05 0.00 0.10 0.00 0.00 59.98 59.34 2crb h ARG 84 Cb 0.10 0.33 -0.05 0.00 1.11 0.00 0.00 29.97 31.47 2crb h ARG 84 CO -0.01 1.43 0.54 0.93 0.10 0.00 0.00 179.97 182.95 2crb h GLU 85 N 0.14 0.95 0.87 0.08 4.39 -1.41 -2.57 114.58 117.03 2crb h GLU 85 Ca -0.28 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.33 2crb h GLU 85 Cb 2.17 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 30.61 2crb h GLU 85 CO 0.26 0.63 -0.43 1.49 -1.16 0.00 0.00 179.01 179.80 2crb h GLU 86 N 0.98 -1.14 -0.99 2.33 4.22 -1.16 -0.06 114.58 118.76 2crb h GLU 86 Ca 0.34 0.08 0.27 0.00 0.08 0.00 0.00 59.36 60.12 2crb h GLU 86 Cb 0.10 0.26 -0.13 0.00 0.50 0.00 0.00 28.75 29.48 2crb h GLU 86 CO -0.11 -0.76 0.56 0.00 -2.18 0.00 0.00 179.01 176.52 2crb h ARG 87 N -1.19 0.46 0.00 1.92 2.47 -1.59 0.92 114.38 117.37 2crb h ARG 87 Ca -0.12 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2crb h ARG 87 Cb 0.91 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2crb h ARG 87 CO 0.19 0.30 0.00 1.28 0.56 0.00 0.00 179.97 182.30 2crb n LEU 88 N -4.96 0.21 -0.32 3.04 4.32 -0.98 -3.48 117.00 114.82 2crb n LEU 88 Ca 0.28 0.72 0.29 0.00 -0.02 0.00 0.00 56.01 57.28 2crb n LEU 88 Cb 0.81 -0.40 0.55 0.00 -1.62 0.00 0.00 43.42 42.76 2crb n LEU 88 CO 0.13 -0.40 1.05 0.07 -1.22 0.00 0.00 177.39 177.02 2crb h LYS 89 N 0.00 0.05 -7.31 3.23 2.10 -0.74 -3.40 116.57 110.49 2crb h LYS 89 Ca 0.00 -0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 2crb h LYS 89 Cb 0.00 -0.01 0.15 0.00 -0.90 0.00 0.00 32.23 31.47 2crb h LYS 89 CO 0.00 0.03 0.24 0.00 -2.00 0.00 0.00 179.45 177.72 2crb s ALA 90 N -5.58 1.54 -0.29 0.07 0.00 0.29 -4.91 121.76 112.88 2crb s ALA 90 Ca -0.09 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 2crb s ALA 90 Cb 0.33 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2crb s ALA 90 CO 0.78 -2.38 1.72 -1.58 0.00 0.00 0.00 175.76 174.30 2crb s HIS 91 N -2.86 1.93 -0.16 0.00 2.46 -1.26 -4.93 115.29 110.47 2crb s HIS 91 Ca 0.64 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.75 2crb s HIS 91 Cb -0.19 -4.09 0.03 0.00 -0.13 0.00 0.00 32.58 28.19 2crb s HIS 91 CO 0.57 -2.95 -0.13 0.45 -2.47 0.00 0.00 174.74 170.21 2crb s SER 92 N 5.30 2.81 1.04 9.88 0.15 -1.26 -5.08 113.70 126.54 2crb s SER 92 Ca 0.76 -0.56 -0.24 0.00 0.70 0.00 0.00 55.95 56.61 2crb s SER 92 Cb -0.23 -1.17 -0.08 0.00 -1.71 0.00 0.00 66.02 62.82 2crb s SER 92 CO 0.32 -0.08 -0.91 0.61 1.20 0.00 0.00 173.24 174.39 2crb n GLY 93 N 4.76 -2.90 3.57 9.45 0.00 -1.26 -4.69 105.19 114.12 2crb n GLY 93 Ca -0.16 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 2crb n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crb s PRO 94 N -2.56 2.53 -0.37 1.61 0.04 -1.26 -4.91 135.00 130.08 2crb s PRO 94 Ca 0.44 -0.62 -0.29 0.00 0.04 0.00 0.00 61.00 60.58 2crb s PRO 94 Cb 0.00 -5.13 -0.07 0.00 0.04 0.00 0.00 34.50 29.34 2crb s PRO 94 CO 0.67 -3.61 2.31 0.45 0.04 0.00 0.00 177.00 176.86 2crb n SER 95 N 14.16 2.62 -4.64 6.66 2.88 -1.26 -4.91 113.62 129.13 2crb n SER 95 Ca 0.42 -0.03 -0.43 0.00 -1.33 0.00 0.00 58.87 57.50 2crb n SER 95 Cb 0.47 -1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 2crb n SER 95 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crb s SER 96 N 9.65 6.95 0.00 -3.46 0.01 -1.26 -5.29 113.70 120.30 2crb s SER 96 Ca 1.03 1.13 0.00 0.00 1.31 0.00 0.00 55.95 59.42 2crb s SER 96 Cb -0.39 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.33 2crb s SER 96 CO 0.35 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.91