#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 2.36 -4.67 1.61 3.41 -1.26 -4.90 113.62 110.17 2crb n SER 2 Ca 0.00 1.17 -0.43 0.00 -0.26 0.00 0.00 58.87 59.35 2crb n SER 2 Cb 0.00 -1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 62.53 2crb n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2crb s SER 3 N -0.08 7.00 -0.23 4.04 1.04 -1.26 -5.00 113.70 119.22 2crb s SER 3 Ca 0.63 1.73 -0.20 0.00 0.48 0.00 0.00 55.95 58.58 2crb s SER 3 Cb -0.65 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 62.90 2crb s SER 3 CO 0.56 -0.68 0.62 -0.83 0.98 0.00 0.00 173.24 173.88 2crb s GLY 4 N 1.73 1.93 -0.15 7.32 0.00 -1.26 -4.95 107.32 111.93 2crb s GLY 4 Ca 0.55 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.67 2crb s GLY 4 CO 0.17 1.36 0.53 0.23 0.00 0.00 0.00 173.10 175.39 2crb h SER 5 N 7.70 0.13 -2.06 1.64 0.87 -2.03 -3.48 113.55 116.32 2crb h SER 5 Ca -0.29 -0.79 -0.58 0.00 -1.23 0.00 0.00 61.79 58.90 2crb h SER 5 Cb 1.13 -0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.94 2crb h SER 5 CO 0.77 1.36 -0.66 -0.94 -0.53 0.00 0.00 176.83 176.83 2crb s SER 6 N -6.71 4.15 0.00 6.23 1.04 -1.26 -5.10 113.70 112.05 2crb s SER 6 Ca -0.22 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2crb s SER 6 Cb 0.02 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2crb s SER 6 CO 0.69 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.41 2crb n GLY 7 N -0.86 -0.82 3.52 7.32 0.00 -1.26 -4.94 105.19 108.14 2crb n GLY 7 Ca -0.05 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.62 -1.40 1.61 2.00 -1.26 -4.84 117.12 114.85 2crb n MET 8 Ca 0.00 -2.40 -0.42 0.00 0.00 0.00 0.00 57.70 54.88 2crb n MET 8 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 33.22 29.56 2crb n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2crb n GLU 9 N 8.10 1.86 0.04 0.03 1.02 -1.26 -3.69 120.64 126.74 2crb n GLU 9 Ca 0.46 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 2crb n GLU 9 Cb 0.46 -3.09 0.00 0.00 -0.02 0.00 0.00 31.44 28.79 2crb n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2crb n GLY 10 N 4.58 -1.86 0.22 0.62 0.00 -1.26 -4.96 105.19 102.53 2crb n GLY 10 Ca 0.50 0.56 0.09 0.00 0.00 0.00 0.00 46.02 47.17 2crb n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crb h PRO 11 N 0.00 0.00 -0.04 1.61 0.13 -2.00 -3.17 132.00 128.53 2crb h PRO 11 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2crb h PRO 11 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2crb h PRO 11 CO 0.00 0.25 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.84 2crb h LEU 12 N 0.00 0.17 -0.44 1.56 3.38 -1.93 -3.21 115.31 114.84 2crb h LEU 12 Ca -0.00 -0.60 0.09 0.00 0.09 0.00 0.00 57.88 57.46 2crb h LEU 12 Cb 0.68 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 2crb h LEU 12 CO 0.03 0.74 -0.10 0.78 0.09 0.00 0.00 178.44 179.98 2crb h ASN 13 N -0.39 -0.40 -0.41 -0.43 2.35 -1.83 0.26 115.58 114.73 2crb h ASN 13 Ca -0.00 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 56.00 2crb h ASN 13 Cb 0.72 0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 2crb h ASN 13 CO 0.02 -0.14 0.38 -0.07 -1.65 0.00 0.00 177.43 175.97 2crb h LEU 14 N 0.01 0.00 0.00 1.61 3.38 -1.62 0.55 115.31 119.24 2crb h LEU 14 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2crb h LEU 14 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2crb h LEU 14 CO -0.45 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 177.69 2crb h ALA 15 N 1.63 0.80 0.05 1.53 0.00 -0.53 -3.29 119.26 119.45 2crb h ALA 15 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2crb h ALA 15 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2crb h ALA 15 CO -0.00 0.00 -1.18 0.45 0.00 0.00 0.00 179.25 178.52 2crb h HIS 16 N 0.00 0.18 -0.03 0.00 3.86 0.88 -2.83 115.15 117.21 2crb h HIS 16 Ca 0.00 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2crb h HIS 16 Cb 0.98 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 2crb h HIS 16 CO 0.00 1.46 0.16 -0.56 0.86 0.00 0.00 177.93 179.85 2crb h GLN 17 N -0.69 0.00 0.04 2.45 3.07 -1.11 -1.16 115.11 117.70 2crb h GLN 17 Ca -0.29 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.14 2crb h GLN 17 Cb 1.46 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.99 2crb h GLN 17 CO -0.07 0.00 -1.74 1.04 0.09 0.00 0.00 178.83 178.15 2crb n GLN 18 N -3.16 0.63 -0.18 0.06 1.13 -1.24 -4.15 117.38 110.47 2crb n GLN 18 Ca -0.02 0.42 -0.03 0.00 -1.94 0.00 0.00 57.00 55.43 2crb n GLN 18 Cb 0.23 -1.68 0.08 0.00 0.11 0.00 0.00 30.24 28.97 2crb n GLN 18 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2crb h SER 19 N -0.64 0.32 -0.41 1.08 0.87 -1.13 0.06 113.55 113.71 2crb h SER 19 Ca -0.44 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 60.29 2crb h SER 19 Cb 1.59 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.53 2crb h SER 19 CO -0.15 0.21 0.35 0.08 -0.53 0.00 0.00 176.83 176.80 2crb h ARG 20 N 0.48 0.00 0.14 2.24 -0.00 -1.43 -1.26 114.38 114.55 2crb h ARG 20 Ca 0.26 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.02 2crb h ARG 20 Cb 0.23 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.22 2crb h ARG 20 CO -0.21 0.00 -0.99 -0.09 -0.00 0.00 0.00 179.97 178.68 2crb h ARG 21 N 0.00 0.30 -0.58 0.08 2.43 -1.18 -3.32 114.38 112.12 2crb h ARG 21 Ca 0.19 -0.52 0.11 0.00 -0.81 0.00 0.00 59.98 58.96 2crb h ARG 21 Cb 0.90 0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 2crb h ARG 21 CO -0.00 1.25 -0.22 0.00 -1.51 0.00 0.00 179.97 179.49 2crb h ALA 22 N 0.06 0.23 -0.21 2.80 0.00 -0.34 -1.00 119.26 120.79 2crb h ALA 22 Ca -0.19 0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2crb h ALA 22 Cb 1.70 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 20.00 2crb h ALA 22 CO 0.14 -0.52 -0.24 0.22 0.00 0.00 0.00 179.25 178.84 2crb h ASP 23 N -0.08 -0.78 -0.64 0.00 3.58 -1.64 0.99 116.42 117.86 2crb h ASP 23 Ca 0.27 0.14 0.15 0.00 0.42 0.00 0.00 57.03 58.00 2crb h ASP 23 Cb 0.49 0.36 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 2crb h ASP 23 CO -0.63 -0.28 0.44 0.03 -2.88 0.00 0.00 179.24 175.92 2crb h ARG 24 N -0.27 0.20 -0.05 0.28 2.47 -1.32 -0.71 114.38 114.98 2crb h ARG 24 Ca 0.13 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.62 2crb h ARG 24 Cb 0.46 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2crb h ARG 24 CO -0.37 0.13 -0.82 -0.07 0.56 0.00 0.00 179.97 179.41 2crb h LEU 25 N 0.21 0.81 -1.06 3.04 3.38 0.11 -3.15 115.31 118.64 2crb h LEU 25 Ca 0.31 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.62 2crb h LEU 25 Cb 0.93 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2crb h LEU 25 CO -0.06 1.40 0.63 0.25 0.09 0.00 0.00 178.44 180.75 2crb h LEU 26 N 0.30 1.03 -0.99 1.67 5.85 0.58 0.38 115.31 124.12 2crb h LEU 26 Ca -0.09 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2crb h LEU 26 Cb 1.48 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2crb h LEU 26 CO 0.16 0.69 0.18 0.00 -0.34 0.00 0.00 178.44 179.14 2crb h ALA 27 N 1.45 1.19 -0.22 1.25 0.00 -1.42 -1.95 119.26 119.56 2crb h ALA 27 Ca 0.40 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2crb h ALA 27 Cb 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2crb h ALA 27 CO -0.13 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.75 2crb n ALA 28 N -2.46 3.12 -1.73 0.00 0.00 -0.65 -4.83 120.51 113.96 2crb n ALA 28 Ca 0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 53.44 52.60 2crb n ALA 28 Cb 0.21 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 0.12 1.38 1.97 0.00 0.00 -0.73 -4.84 105.19 103.09 2crb n GLY 29 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.43 2.01 -0.12 1.61 4.76 0.12 -4.74 118.16 119.38 2crb n LYS 30 Ca -0.20 -2.11 -0.03 0.00 -2.87 0.00 0.00 58.31 53.10 2crb n LYS 30 Cb 0.65 -1.83 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 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 -0.28 -0.12 -0.32 2.13 4.01 -1.26 -0.50 117.16 120.82 2crb n TYR 31 Ca 0.41 0.35 -0.07 0.00 -0.16 0.00 0.00 57.90 58.43 2crb n TYR 31 Cb 0.85 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 2crb n TYR 31 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2crb n GLU 32 N -3.57 -0.30 -0.23 -0.72 2.13 -1.26 0.12 120.64 116.80 2crb n GLU 32 Ca 0.01 1.18 0.03 0.00 0.66 0.00 0.00 57.16 59.04 2crb n GLU 32 Cb 0.07 -1.74 0.14 0.00 0.27 0.00 0.00 31.44 30.18 2crb n GLU 32 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2crb h GLU 33 N 0.00 0.14 0.49 5.31 5.08 -1.18 -2.21 114.58 122.20 2crb h GLU 33 Ca 0.16 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2crb h GLU 33 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2crb h GLU 33 CO -0.74 0.09 -0.24 0.00 -1.00 0.00 0.00 179.01 177.12 2crb h ALA 34 N 1.63 -0.66 -0.73 3.43 0.00 0.15 -2.83 119.26 120.25 2crb h ALA 34 Ca 0.37 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2crb h ALA 34 Cb 0.64 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 2crb h ALA 34 CO -0.58 -0.73 -0.42 -0.89 0.00 0.00 0.00 179.25 176.64 2crb n ILE 35 N -5.27 -0.49 0.21 0.00 5.41 0.95 -0.23 119.36 119.94 2crb n ILE 35 Ca -0.11 1.75 -0.15 0.00 1.00 0.00 0.00 62.75 65.24 2crb n ILE 35 Cb 0.31 -2.18 -0.08 0.00 -0.71 0.00 0.00 39.64 36.99 2crb n ILE 35 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2crb h SER 36 N 0.00 -0.97 -1.02 4.38 4.64 -1.51 -1.92 113.55 117.15 2crb h SER 36 Ca 0.13 0.09 0.37 0.00 -0.47 0.00 0.00 61.79 61.91 2crb h SER 36 Cb 0.31 0.33 -0.16 0.00 -0.31 0.00 0.00 62.40 62.57 2crb h SER 36 CO -0.69 -0.49 0.58 0.00 -0.87 0.00 0.00 176.83 175.36 2crb h HIS 38 N 0.16 0.48 -0.58 0.00 -0.00 -0.34 -2.85 115.15 112.03 2crb h HIS 38 Ca 0.79 -0.10 0.06 0.00 -0.00 0.00 0.00 60.37 61.12 2crb h HIS 38 Cb 2.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 29.24 2crb h HIS 38 CO -0.01 0.66 0.29 0.00 -0.00 0.00 0.00 177.93 178.88 2crb h ARG 39 N 0.17 0.53 -0.69 2.45 3.08 0.68 -1.68 114.38 118.92 2crb h ARG 39 Ca 0.06 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2crb h ARG 39 Cb 0.50 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 2crb h ARG 39 CO 0.02 0.35 0.40 0.87 -1.07 0.00 0.00 179.97 180.54 2crb h LYS 40 N 0.55 0.72 0.78 0.04 1.57 -1.19 -1.23 116.57 117.81 2crb h LYS 40 Ca 0.27 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2crb h LYS 40 Cb 0.20 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.35 2crb h LYS 40 CO -0.19 0.48 -0.38 0.00 -0.57 0.00 0.00 179.45 178.79 2crb h ALA 41 N 1.34 -1.05 -0.02 3.86 0.00 -1.13 -2.09 119.26 120.17 2crb h ALA 41 Ca 0.30 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2crb h ALA 41 Cb 0.15 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2crb h ALA 41 CO -0.16 -1.07 -0.50 1.79 0.00 0.00 0.00 179.25 179.31 2crb h THR 42 N -1.10 0.04 -1.03 0.00 1.35 -1.16 -0.37 112.91 110.63 2crb h THR 42 Ca -0.11 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.02 2crb h THR 42 Cb 0.82 0.04 -0.12 0.00 -1.73 0.00 0.00 68.15 67.16 2crb h THR 42 CO 0.18 0.00 0.62 0.74 -0.25 0.00 0.00 175.52 176.81 2crb h THR 43 N -0.64 0.48 0.63 6.82 2.02 -1.25 -1.25 112.91 119.71 2crb h THR 43 Ca 0.03 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2crb h THR 43 Cb 0.70 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2crb h THR 43 CO -0.36 0.09 -0.30 0.22 0.37 0.00 0.00 175.52 175.54 2crb h TYR 44 N 0.47 -0.78 -0.76 3.16 3.20 -0.41 -2.05 116.97 119.81 2crb h TYR 44 Ca 0.66 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.68 2crb h TYR 44 Cb 1.42 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 39.82 2crb h TYR 44 CO -0.01 -0.45 0.03 -0.07 -1.64 0.00 0.00 178.16 176.03 2crb h LEU 45 N -1.13 -0.30 -0.35 2.82 3.38 -0.15 0.60 115.31 120.19 2crb h LEU 45 Ca -0.09 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2crb h LEU 45 Cb 0.69 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2crb h LEU 45 CO 0.14 -0.17 0.21 -1.28 0.09 0.00 0.00 178.44 177.44 2crb h SER 46 N 0.12 0.36 -0.89 -0.43 0.87 -1.26 0.18 113.55 112.50 2crb h SER 46 Ca 0.42 -0.00 0.23 0.00 -1.23 0.00 0.00 61.79 61.21 2crb h SER 46 Cb 0.74 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 2crb h SER 46 CO -0.65 0.26 0.62 -0.33 -0.53 0.00 0.00 176.83 176.20 2crb h GLU 47 N 0.44 0.17 0.12 2.24 4.39 -0.14 0.16 114.58 121.96 2crb h GLU 47 Ca 0.13 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.52 2crb h GLU 47 Cb -0.02 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2crb h GLU 47 CO -0.05 0.11 -1.58 0.00 -1.16 0.00 0.00 179.01 176.33 2crb h ALA 48 N 1.59 0.24 0.50 3.43 0.00 -0.85 -3.34 119.26 120.84 2crb h ALA 48 Ca 0.44 -1.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2crb h ALA 48 Cb 1.46 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2crb h ALA 48 CO -0.09 0.96 -0.31 1.98 0.00 0.00 0.00 179.25 181.78 2crb h MET 49 N -0.22 -0.75 0.00 0.00 1.85 0.46 0.24 114.93 116.50 2crb h MET 49 Ca -0.34 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 2crb h MET 49 Cb 1.83 0.17 0.00 0.00 0.43 0.00 0.00 31.60 34.03 2crb h MET 49 CO 0.06 -0.50 0.31 0.87 -0.40 0.00 0.00 176.91 177.24 2crb h LYS 50 N -0.78 0.00 0.00 0.39 1.57 -0.93 -2.61 116.57 114.20 2crb h LYS 50 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2crb h LYS 50 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2crb h LYS 50 CO 0.06 0.00 -0.56 -0.11 -0.57 0.00 0.00 179.45 178.27 2crb n LEU 51 N -2.33 1.41 -4.64 2.94 7.94 -0.46 -4.96 117.00 116.90 2crb n LEU 51 Ca -0.01 0.40 -0.41 0.00 -1.11 0.00 0.00 56.01 54.88 2crb n LEU 51 Cb 0.34 -0.73 0.01 0.00 0.53 0.00 0.00 43.42 43.57 2crb n LEU 51 CO 0.08 -0.41 0.67 1.07 -1.11 0.00 0.00 177.39 177.69 2crb n THR 52 N -4.00 2.55 -0.06 1.96 5.66 0.73 -4.93 114.28 116.18 2crb n THR 52 Ca -0.08 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.36 2crb n THR 52 Cb 0.29 -1.27 -0.09 0.00 -1.55 0.00 0.00 70.33 67.71 2crb n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2crb n GLU 53 N 0.06 1.90 -0.89 1.09 0.28 -1.26 -4.86 120.64 116.96 2crb n GLU 53 Ca 0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 2crb n GLU 53 Cb 0.40 -1.31 0.08 0.00 1.43 0.00 0.00 31.44 32.04 2crb n GLU 53 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2crb n SER 54 N -2.49 -3.87 -0.03 -1.84 7.64 -1.26 -4.89 113.62 106.89 2crb n SER 54 Ca -0.20 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 2crb n SER 54 Cb 0.88 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2crb n SER 54 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crb h GLU 55 N -1.32 0.00 -0.75 1.43 4.81 -1.99 -3.21 114.58 113.54 2crb h GLU 55 Ca -0.44 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2crb h GLU 55 Cb 1.31 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.58 2crb h GLU 55 CO 0.29 0.00 -0.49 1.96 -0.73 0.00 0.00 179.01 180.03 2crb h GLN 56 N -0.51 -0.14 -0.08 1.92 1.08 -1.97 0.17 115.11 115.57 2crb h GLN 56 Ca 0.00 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2crb h GLN 56 Cb 0.08 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 2crb h GLN 56 CO 0.00 -0.09 -0.32 0.00 -0.95 0.00 0.00 178.83 177.47 2crb h ALA 57 N 0.61 -0.70 -0.65 3.87 0.00 -1.93 0.79 119.26 121.26 2crb h ALA 57 Ca 0.19 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.19 2crb h ALA 57 Cb 0.53 0.83 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 2crb h ALA 57 CO -0.80 -0.81 -0.12 1.25 0.00 0.00 0.00 179.25 178.76 2crb h HIS 58 N -0.34 -0.27 0.02 0.00 -0.00 -1.36 -1.35 115.15 111.85 2crb h HIS 58 Ca 0.02 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2crb h HIS 58 Cb 0.39 0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.98 2crb h HIS 58 CO -0.53 -0.26 -0.30 -0.07 -0.00 0.00 0.00 177.93 176.78 2crb h LEU 59 N 0.02 -0.88 -1.42 0.26 4.07 0.02 0.34 115.31 117.72 2crb h LEU 59 Ca 0.32 0.11 0.12 0.00 0.08 0.00 0.00 57.88 58.51 2crb h LEU 59 Cb 0.50 0.35 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 2crb h LEU 59 CO -0.64 -0.37 0.71 0.77 -1.08 0.00 0.00 178.44 177.83 2crb h SER 60 N -0.46 0.00 0.00 -0.43 4.64 0.29 -0.88 113.55 116.72 2crb h SER 60 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2crb h SER 60 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2crb h SER 60 CO -0.24 0.00 -0.54 0.18 -0.87 0.00 0.00 176.83 175.36 2crb n LEU 61 N -3.19 1.37 -0.10 5.97 4.77 0.14 -2.96 117.00 122.99 2crb n LEU 61 Ca 0.08 0.40 0.24 0.00 -0.03 0.00 0.00 56.01 56.70 2crb n LEU 61 Cb 0.86 -0.73 0.45 0.00 -2.33 0.00 0.00 43.42 41.67 2crb n LEU 61 CO 0.18 -0.41 1.22 1.05 -1.33 0.00 0.00 177.39 178.10 2crb h GLU 62 N -0.73 0.00 0.00 3.23 4.11 0.09 0.14 114.58 121.41 2crb h GLU 62 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2crb h GLU 62 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2crb h GLU 62 CO 0.00 0.00 -0.21 1.28 0.07 0.00 0.00 179.01 180.15 2crb n LEU 63 N -3.23 0.67 -0.29 3.06 4.77 -0.38 -3.88 117.00 117.71 2crb n LEU 63 Ca 0.18 0.35 0.34 0.00 -0.03 0.00 0.00 56.01 56.85 2crb n LEU 63 Cb 1.32 -0.63 0.65 0.00 -2.33 0.00 0.00 43.42 42.43 2crb n LEU 63 CO 0.21 -0.48 1.31 -0.61 -1.33 0.00 0.00 177.39 176.50 2crb h GLN 64 N -0.36 0.00 0.01 3.23 4.15 -1.21 0.44 115.11 121.36 2crb h GLN 64 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2crb h GLN 64 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2crb h GLN 64 CO 0.00 0.00 -0.01 -0.09 -1.93 0.00 0.00 178.83 176.80 2crb h ARG 65 N 0.00 -0.01 -0.76 1.69 2.43 -0.95 -2.87 114.38 113.91 2crb h ARG 65 Ca 0.56 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.80 2crb h ARG 65 Cb 2.66 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 32.12 2crb h ARG 65 CO -0.01 0.43 -0.45 -3.47 -1.51 0.00 0.00 179.97 174.97 2crb n ASP 66 N -4.88 -0.80 0.41 -3.80 2.03 0.15 -1.33 116.55 108.32 2crb n ASP 66 Ca -0.08 1.47 -0.19 0.00 0.52 0.00 0.00 54.79 56.50 2crb n ASP 66 Cb 0.23 -0.23 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2crb n ASP 66 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2crb h SER 67 N 0.00 -1.18 -1.43 1.67 4.64 -1.64 0.21 113.55 115.81 2crb h SER 67 Ca 0.12 0.07 0.42 0.00 -0.47 0.00 0.00 61.79 61.92 2crb h SER 67 Cb 0.31 0.35 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 2crb h SER 67 CO -0.71 -0.71 1.19 1.41 -0.87 0.00 0.00 176.83 177.13 2crb n HIS 68 N -5.60 0.00 -0.08 4.77 8.25 -0.44 0.15 115.22 122.26 2crb n HIS 68 Ca -0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 2crb n HIS 68 Cb 0.48 -0.36 -0.13 0.00 1.12 0.00 0.00 29.99 31.11 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 -3.43 0.68 -0.31 -0.41 2.00 -0.53 -3.80 117.12 111.33 2crb n MET 69 Ca 0.32 0.22 0.16 0.00 0.00 0.00 0.00 57.70 58.40 2crb n MET 69 Cb 1.62 -1.60 0.42 0.00 0.00 0.00 0.00 33.22 33.66 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 -0.08 0.57 0.00 0.03 2.10 0.45 0.76 116.57 120.40 2crb h LYS 70 Ca -0.52 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 57.86 2crb h LYS 70 Cb 1.90 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 2crb h LYS 70 CO -0.05 0.38 -0.96 1.96 -2.00 0.00 0.00 179.45 178.78 2crb h GLN 71 N 0.59 0.44 0.87 0.07 1.08 -1.39 -3.21 115.11 113.56 2crb h GLN 71 Ca 0.54 -0.48 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2crb h GLN 71 Cb 1.06 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2crb h GLN 71 CO -0.29 1.13 -0.47 1.25 -0.95 0.00 0.00 178.83 179.51 2crb h LEU 72 N 0.25 -1.14 -1.50 1.46 5.85 -0.99 0.13 115.31 119.36 2crb h LEU 72 Ca -0.09 0.05 0.27 0.00 0.84 0.00 0.00 57.88 58.96 2crb h LEU 72 Cb 1.59 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.86 2crb h LEU 72 CO 0.17 -0.76 0.69 -0.07 -0.34 0.00 0.00 178.44 178.13 2crb h LEU 73 N -1.23 0.35 0.33 2.25 3.38 -1.42 0.74 115.31 119.71 2crb h LEU 73 Ca -0.12 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2crb h LEU 73 Cb 0.96 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2crb h LEU 73 CO 0.16 0.08 -0.16 -0.07 0.09 0.00 0.00 178.44 178.54 2crb h LEU 74 N 0.32 -0.38 -1.19 1.67 3.38 -1.44 -3.03 115.31 114.63 2crb h LEU 74 Ca 0.57 -0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.69 2crb h LEU 74 Cb 1.60 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 42.35 2crb h LEU 74 CO -0.23 0.08 0.62 0.40 0.09 0.00 0.00 178.44 179.41 2crb h ILE 75 N -1.07 0.64 0.74 1.22 2.04 0.04 0.25 117.51 121.37 2crb h ILE 75 Ca -0.05 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2crb h ILE 75 Cb 0.42 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2crb h ILE 75 CO 0.07 0.11 -0.46 1.56 0.00 0.00 0.00 178.15 179.43 2crb h GLN 76 N 0.59 -1.09 0.00 2.37 4.20 -0.94 -0.12 115.11 120.12 2crb h GLN 76 Ca 0.57 0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.34 2crb h GLN 76 Cb 1.13 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 29.16 2crb h GLN 76 CO -0.33 -0.73 -0.06 1.05 -0.67 0.00 0.00 178.83 178.09 2crb h GLU 77 N -1.13 0.00 -0.24 1.46 4.11 -1.23 -1.64 114.58 115.90 2crb h GLU 77 Ca -0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.20 2crb h GLU 77 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2crb h GLU 77 CO 0.10 0.06 -0.39 0.00 0.07 0.00 0.00 179.01 178.85 2crb h ARG 78 N 0.00 0.56 -0.15 1.06 2.47 -0.49 -3.13 114.38 114.70 2crb h ARG 78 Ca -0.00 -0.27 -0.21 0.00 -1.26 0.00 0.00 59.98 58.24 2crb h ARG 78 Cb 0.12 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2crb h ARG 78 CO 0.01 0.85 -0.71 2.35 0.56 0.00 0.00 179.97 183.03 2crb h TRP 79 N 0.46 1.01 -0.16 3.04 7.01 -0.11 -2.98 115.95 124.23 2crb h TRP 79 Ca 0.04 -0.44 0.04 0.00 2.11 0.00 0.00 58.89 60.65 2crb h TRP 79 Cb 0.88 -0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.71 2crb h TRP 79 CO 0.03 1.26 -0.44 0.87 -2.79 0.00 0.00 178.44 177.38 2crb h LYS 80 N 0.47 -0.47 -0.63 2.65 1.57 -1.35 0.84 116.57 119.65 2crb h LYS 80 Ca -0.04 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2crb h LYS 80 Cb 1.34 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.72 2crb h LYS 80 CO 0.15 -0.31 0.42 0.00 -0.57 0.00 0.00 179.45 179.13 2crb h ARG 81 N -0.49 0.78 -0.50 3.15 3.08 -1.63 -2.32 114.38 116.45 2crb h ARG 81 Ca 0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2crb h ARG 81 Cb 0.63 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2crb h ARG 81 CO -0.42 0.52 0.28 0.00 -1.07 0.00 0.00 179.97 179.27 2crb h ALA 82 N 1.62 0.64 -0.98 0.04 0.00 -0.94 0.18 119.26 119.82 2crb h ALA 82 Ca 0.24 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.40 2crb h ALA 82 Cb -0.01 -0.20 -0.17 0.00 0.00 0.00 0.00 17.79 17.41 2crb h ALA 82 CO -0.06 0.16 0.36 0.87 0.00 0.00 0.00 179.25 180.58 2crb h LYS 83 N 0.67 0.07 0.03 0.00 1.79 -0.32 0.58 116.57 119.39 2crb h LYS 83 Ca 0.18 -0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.35 2crb h LYS 83 Cb 0.04 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 2crb h LYS 83 CO -0.03 0.05 -1.62 2.89 -1.08 0.00 0.00 179.45 179.65 2crb n ARG 84 N -5.29 0.62 0.16 3.15 1.85 -1.03 -3.66 116.66 112.45 2crb n ARG 84 Ca 0.31 0.45 -0.10 0.00 -1.00 0.00 0.00 57.85 57.51 2crb n ARG 84 Cb 1.02 -1.70 -0.05 0.00 -1.05 0.00 0.00 32.46 30.67 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 -0.72 -0.53 -0.40 2.89 4.39 0.37 0.16 114.58 120.73 2crb h GLU 85 Ca -0.42 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.40 2crb h GLU 85 Cb 1.53 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 30.21 2crb h GLU 85 CO -0.17 -0.35 -0.28 1.49 -1.16 0.00 0.00 179.01 178.54 2crb h GLU 86 N -0.55 -0.20 -0.93 2.33 4.81 -0.09 0.47 114.58 120.42 2crb h GLU 86 Ca -0.03 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 2crb h GLU 86 Cb 0.48 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 2crb h GLU 86 CO -0.04 -0.13 0.55 0.00 -0.73 0.00 0.00 179.01 178.66 2crb h ARG 87 N -0.21 0.80 0.69 1.92 2.47 -1.60 -0.01 114.38 118.46 2crb h ARG 87 Ca 0.19 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 2crb h ARG 87 Cb 0.51 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2crb h ARG 87 CO -0.52 0.53 -0.33 -0.07 0.56 0.00 0.00 179.97 180.14 2crb h LEU 88 N 0.83 -0.79 -1.99 3.04 3.38 0.14 -2.77 115.31 117.16 2crb h LEU 88 Ca 0.48 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.65 2crb h LEU 88 Cb 0.57 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2crb h LEU 88 CO -0.30 -0.53 0.48 0.07 0.09 0.00 0.00 178.44 178.25 2crb h LYS 89 N -1.00 0.00 -6.25 1.13 2.10 -0.91 -3.40 116.57 108.24 2crb h LYS 89 Ca -0.09 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.99 2crb h LYS 89 Cb 0.71 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.03 2crb h LYS 89 CO 0.16 0.00 1.18 0.00 -2.00 0.00 0.00 179.45 178.79 2crb s ALA 90 N -4.82 3.28 0.19 0.07 0.00 -0.04 -4.89 121.76 115.55 2crb s ALA 90 Ca -0.05 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 2crb s ALA 90 Cb 0.18 -3.86 0.10 0.00 0.00 0.00 0.00 23.12 19.53 2crb s ALA 90 CO 0.66 -1.94 1.56 1.25 0.00 0.00 0.00 175.76 177.29 2crb h HIS 91 N 11.09 -1.26 -1.07 0.00 2.76 -1.84 -3.37 115.15 121.47 2crb h HIS 91 Ca -0.37 0.09 -0.48 0.00 -2.20 0.00 0.00 60.37 57.41 2crb h HIS 91 Cb 1.18 0.66 -0.02 0.00 1.55 0.00 0.00 27.41 30.77 2crb h HIS 91 CO 0.92 -0.41 1.67 -1.13 -1.30 0.00 0.00 177.93 177.68 2crb n SER 92 N -5.41 1.67 0.00 3.26 3.41 -1.26 -3.14 113.62 112.15 2crb n SER 92 Ca 0.05 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2crb n SER 92 Cb 0.35 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2crb n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crb n GLY 93 N 6.19 -0.49 0.12 5.00 0.00 -1.26 -4.90 105.19 109.84 2crb n GLY 93 Ca 0.46 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.79 2crb n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crb n PRO 94 N 0.00 0.17 -2.48 1.61 -0.04 -1.24 -4.73 135.00 128.29 2crb n PRO 94 Ca 0.00 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.45 2crb n PRO 94 Cb 0.00 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 2crb n PRO 94 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2crb s SER 95 N -4.10 7.13 -0.09 3.54 1.04 -1.19 -4.97 113.70 115.07 2crb s SER 95 Ca 0.04 1.94 -0.03 0.00 0.48 0.00 0.00 55.95 58.38 2crb s SER 95 Cb 0.09 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 2crb s SER 95 CO 0.37 -0.44 -0.06 -1.28 0.98 0.00 0.00 173.24 172.82 2crb h SER 96 N 6.84 0.00 0.00 7.02 0.87 -1.92 -3.48 113.55 122.87 2crb h SER 96 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2crb h SER 96 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2crb h SER 96 CO 0.80 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 178.20