#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0s n HIS 2 N 0.00 -0.84 -4.30 1.61 1.44 -1.26 -5.16 115.22 106.71 2k0s n HIS 2 Ca 0.00 -0.72 -0.17 0.00 -2.01 0.00 0.00 57.72 54.82 2k0s n HIS 2 Cb 0.00 0.94 -0.10 0.00 0.12 0.00 0.00 29.99 30.96 2k0s n HIS 2 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k0s s HIS 3 N 0.05 1.51 -0.30 -1.40 5.65 -1.26 -5.15 115.29 114.39 2k0s s HIS 3 Ca 0.04 -1.34 -0.14 0.00 0.25 0.00 0.00 55.06 53.86 2k0s s HIS 3 Cb 0.18 -0.81 0.18 0.00 -1.18 0.00 0.00 32.58 30.95 2k0s s HIS 3 CO -0.05 -0.52 1.08 -1.58 -0.65 0.00 0.00 174.74 173.02 2k0s s HIS 4 N -3.73 -0.45 -0.16 3.88 2.46 -1.26 -5.18 115.29 110.85 2k0s s HIS 4 Ca 0.37 0.47 -0.35 0.00 0.47 0.00 0.00 55.06 56.02 2k0s s HIS 4 Cb 0.06 0.15 0.15 0.00 -0.13 0.00 0.00 32.58 32.81 2k0s s HIS 4 CO 0.16 -0.24 1.39 -1.58 -2.47 0.00 0.00 174.74 171.99 2k0s s HIS 5 N 2.96 -0.02 0.10 3.88 5.65 -1.26 -5.17 115.29 121.43 2k0s s HIS 5 Ca -0.02 -0.00 0.10 0.00 0.25 0.00 0.00 55.06 55.40 2k0s s HIS 5 Cb -0.10 0.51 -0.04 0.00 -1.18 0.00 0.00 32.58 31.78 2k0s s HIS 5 CO -0.11 -0.06 -0.27 -3.38 -0.65 0.00 0.00 174.74 170.28 2k0s s HIS 6 N -2.10 2.29 -0.01 3.88 -0.00 -1.26 -5.12 115.29 112.98 2k0s s HIS 6 Ca 0.13 -0.39 -0.02 0.00 -0.00 0.00 0.00 55.06 54.78 2k0s s HIS 6 Cb 0.04 -1.28 0.01 0.00 -0.00 0.00 0.00 32.58 31.35 2k0s s HIS 6 CO -0.05 0.27 0.09 1.58 -0.00 0.00 0.00 174.74 176.64 2k0s n HIS 7 N 1.17 -0.04 -1.24 0.38 -0.00 -1.26 -5.17 115.22 109.06 2k0s n HIS 7 Ca -0.18 -0.04 0.15 0.00 0.46 0.00 0.00 57.72 58.12 2k0s n HIS 7 Cb 0.53 0.02 -0.08 0.00 -0.12 0.00 0.00 29.99 30.33 2k0s n HIS 7 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k0s n LEU 8 N 0.00 -0.88 0.00 0.27 0.00 -1.26 -5.06 117.00 110.07 2k0s n LEU 8 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 56.01 58.06 2k0s n LEU 8 Cb 0.04 -2.83 0.00 0.00 0.00 0.00 0.00 43.42 40.63 2k0s n LEU 8 CO 0.01 -1.95 0.00 -0.62 0.00 0.00 0.00 177.39 174.83 2k0s n GLU 9 N -4.03 0.00 -0.23 1.96 -0.58 -1.26 -4.95 120.64 111.55 2k0s n GLU 9 Ca -0.08 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.90 2k0s n GLU 9 Cb 0.59 0.00 0.60 0.00 -0.57 0.00 0.00 31.44 32.06 2k0s n GLU 9 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2k0s h ASP 10 N 0.00 0.24 0.44 1.62 2.03 -1.97 -1.51 116.42 117.28 2k0s h ASP 10 Ca 0.00 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.31 2k0s h ASP 10 Cb 0.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2k0s h ASP 10 CO 0.00 0.08 -0.21 0.00 -1.03 0.00 0.00 179.24 178.08 2k0s h ALA 11 N 1.58 -0.59 -3.09 4.15 0.00 -2.01 -3.38 119.26 115.93 2k0s h ALA 11 Ca 0.47 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.58 2k0s h ALA 11 Cb 1.46 0.23 -0.41 0.00 0.00 0.00 0.00 17.79 19.07 2k0s h ALA 11 CO -0.12 -0.69 -0.62 -0.51 0.00 0.00 0.00 179.25 177.30 2k0s s ASP 12 N -4.85 4.40 0.07 0.00 1.01 -0.63 -4.65 116.67 112.02 2k0s s ASP 12 Ca -0.14 -3.55 -0.24 0.00 0.71 0.00 0.00 52.55 49.33 2k0s s ASP 12 Cb 0.02 -1.51 -0.16 0.00 1.01 0.00 0.00 42.92 42.28 2k0s s ASP 12 CO 0.52 -0.13 1.67 0.00 0.21 0.00 0.00 175.17 177.44 2k0s h ALA 13 N 5.73 -0.02 -0.95 5.23 0.00 -1.59 -2.71 119.26 124.94 2k0s h ALA 13 Ca 0.10 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.16 2k0s h ALA 13 Cb 0.80 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 2k0s h ALA 13 CO 0.67 -0.48 0.54 1.05 0.00 0.00 0.00 179.25 181.04 2k0s h GLU 14 N -0.09 0.64 0.41 0.00 -0.00 -1.92 -0.51 114.58 113.10 2k0s h GLU 14 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 2k0s h GLU 14 Cb 0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 28.68 2k0s h GLU 14 CO 0.00 0.42 -0.29 0.35 -0.00 0.00 0.00 179.01 179.49 2k0s h PHE 15 N 0.66 -0.78 -0.45 2.06 3.57 -1.87 -1.32 116.94 118.82 2k0s h PHE 15 Ca 0.56 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.09 2k0s h PHE 15 Cb 0.90 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2k0s h PHE 15 CO -0.04 -0.44 0.30 0.22 -2.23 0.00 0.00 178.31 176.11 2k0s h ASP 16 N -0.69 0.40 0.63 0.41 3.58 -1.13 0.00 116.42 119.62 2k0s h ASP 16 Ca -0.04 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2k0s h ASP 16 Cb 0.59 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.55 2k0s h ASP 16 CO 0.01 0.27 -0.30 0.40 -2.88 0.00 0.00 179.24 176.74 2k0s h ILE 17 N 0.46 0.32 -0.37 2.25 2.04 -0.55 -1.66 117.51 119.99 2k0s h ILE 17 Ca 0.18 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2k0s h ILE 17 Cb 0.15 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2k0s h ILE 17 CO -0.05 0.02 0.06 -0.37 0.00 0.00 0.00 178.15 177.81 2k0s h VAL 18 N -0.98 1.19 0.60 1.67 -1.51 -0.99 -2.30 116.25 113.92 2k0s h VAL 18 Ca -0.09 -0.70 -0.03 0.00 -1.23 0.00 0.00 66.70 64.66 2k0s h VAL 18 Cb 0.69 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2k0s h VAL 18 CO 0.14 0.25 -0.31 0.40 -1.23 0.00 0.00 177.57 176.82 2k0s h ILE 19 N 0.55 0.37 0.14 7.19 1.08 -0.89 0.28 117.51 126.23 2k0s h ILE 19 Ca 0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 2k0s h ILE 19 Cb 0.27 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2k0s h ILE 19 CO 0.00 0.00 -0.11 1.23 -0.69 0.00 0.00 178.15 178.58 2k0s h GLY 20 N -0.84 -0.25 2.00 5.37 0.00 -1.20 -2.10 103.07 106.05 2k0s h GLY 20 Ca -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2k0s h GLY 20 CO 0.12 -0.11 -0.07 3.43 0.00 0.00 0.00 176.54 179.90 2k0s h ASN 21 N -0.26 0.00 -0.17 0.19 2.35 -1.40 -2.53 115.58 113.76 2k0s h ASN 21 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2k0s h ASN 21 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2k0s h ASN 21 CO -0.01 0.07 0.03 0.40 -1.65 0.00 0.00 177.43 176.28 2k0s h ILE 22 N 0.00 1.21 0.00 2.81 1.08 0.23 0.53 117.51 123.37 2k0s h ILE 22 Ca -0.00 -0.68 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 2k0s h ILE 22 Cb 0.15 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 2k0s h ILE 22 CO 0.01 0.21 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.42 2k0s h GLU 23 N 0.07 0.00 0.05 2.37 4.22 -1.03 -2.26 114.58 117.99 2k0s h GLU 23 Ca 0.05 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.37 2k0s h GLU 23 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k0s h GLU 23 CO 0.00 0.18 -0.60 0.22 -2.18 0.00 0.00 179.01 176.63 2k0s h ASP 24 N 0.00 0.16 0.00 1.04 3.58 -1.25 -3.29 116.42 116.66 2k0s h ASP 24 Ca -0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 2k0s h ASP 24 Cb 0.32 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k0s h ASP 24 CO 0.02 1.26 0.07 0.16 -2.88 0.00 0.00 179.24 177.87 2k0s h ILE 25 N -0.76 0.00 -1.27 2.25 -0.00 0.18 -2.70 117.51 115.22 2k0s h ILE 25 Ca -0.13 0.00 0.37 0.00 -0.00 0.00 0.00 64.86 65.09 2k0s h ILE 25 Cb 1.30 0.79 -0.05 0.00 -0.00 0.00 0.00 36.82 38.86 2k0s h ILE 25 CO 0.01 0.00 1.15 0.40 -0.00 0.00 0.00 178.15 179.70 2k0s h ILE 26 N 0.00 0.10 0.01 0.16 1.08 -1.48 1.30 117.51 118.66 2k0s h ILE 26 Ca 0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 64.13 2k0s h ILE 26 Cb 0.14 0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 33.96 2k0s h ILE 26 CO 0.00 0.00 -2.08 0.23 -0.69 0.00 0.00 178.15 175.61 2k0s n MET 27 N -3.62 0.67 -4.14 2.37 2.81 -1.02 -4.37 117.12 109.82 2k0s n MET 27 Ca 0.28 0.14 -0.23 0.00 -1.81 0.00 0.00 57.70 56.09 2k0s n MET 27 Cb 1.54 -1.65 -0.17 0.00 -0.71 0.00 0.00 33.22 32.24 2k0s n MET 27 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2k0s s GLU 28 N -2.54 1.12 -0.08 0.03 2.02 0.45 -4.85 118.70 114.84 2k0s s GLU 28 Ca -0.10 -0.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 2k0s s GLU 28 Cb 0.07 -1.13 -0.28 0.00 0.10 0.00 0.00 34.13 32.90 2k0s s GLU 28 CO 0.81 -0.13 0.89 -0.44 0.02 0.00 0.00 175.26 176.41 2k0s h ASP 29 N 7.52 0.25 -0.86 -0.19 5.19 -1.86 -3.33 116.42 123.14 2k0s h ASP 29 Ca -0.32 -0.93 0.22 0.00 -0.62 0.00 0.00 57.03 55.38 2k0s h ASP 29 Cb 1.15 -0.08 -0.13 0.00 0.18 0.00 0.00 39.33 40.45 2k0s h ASP 29 CO 0.42 1.16 0.28 -0.33 -3.12 0.00 0.00 179.24 177.65 2k0s h GLU 30 N -0.61 0.27 -0.92 3.56 5.08 -1.96 0.25 114.58 120.26 2k0s h GLU 30 Ca -0.07 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.49 2k0s h GLU 30 Cb 1.27 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 2k0s h GLU 30 CO 0.08 0.18 0.47 0.74 -1.00 0.00 0.00 179.01 179.48 2k0s h PHE 31 N 0.28 0.80 -0.39 4.33 -1.00 -1.94 0.65 116.94 119.67 2k0s h PHE 31 Ca 0.53 0.04 -0.12 0.00 2.81 0.00 0.00 57.97 61.22 2k0s h PHE 31 Cb 1.02 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.36 2k0s h PHE 31 CO -0.22 0.05 -0.24 0.37 -1.61 0.00 0.00 178.31 176.66 2k0s h GLN 32 N 0.52 0.86 -0.78 1.51 4.15 -0.65 -2.27 115.11 118.45 2k0s h GLN 32 Ca 0.56 -0.40 0.16 0.00 0.77 0.00 0.00 58.65 59.75 2k0s h GLN 32 Cb 1.00 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.58 2k0s h GLN 32 CO -0.47 1.04 0.29 1.25 -1.93 0.00 0.00 178.83 179.01 2k0s h HIS 33 N 0.67 0.48 0.29 3.99 2.76 -0.47 1.01 115.15 123.89 2k0s h HIS 33 Ca 0.08 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2k0s h HIS 33 Cb 0.81 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.68 2k0s h HIS 33 CO 0.06 0.01 -0.14 1.25 -1.30 0.00 0.00 177.93 177.81 2k0s h LEU 34 N 0.40 -0.33 0.27 0.26 5.85 -1.39 -2.15 115.31 118.23 2k0s h LEU 34 Ca 0.44 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2k0s h LEU 34 Cb 0.73 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2k0s h LEU 34 CO -0.45 0.15 -0.39 1.56 -0.34 0.00 0.00 178.44 178.97 2k0s h GLN 35 N -1.02 -0.70 -0.30 1.25 1.08 -1.08 -1.59 115.11 112.75 2k0s h GLN 35 Ca -0.04 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2k0s h GLN 35 Cb 0.44 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 27.96 2k0s h GLN 35 CO 0.07 -0.46 -0.17 0.37 -0.95 0.00 0.00 178.83 177.68 2k0s h GLN 36 N -0.72 -0.13 -0.98 1.46 -0.00 0.93 -0.38 115.11 115.29 2k0s h GLN 36 Ca -0.01 0.01 0.20 0.00 -0.00 0.00 0.00 58.65 58.85 2k0s h GLN 36 Cb 0.69 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 28.10 2k0s h GLN 36 CO -0.13 -0.08 0.62 1.03 0.00 0.00 0.00 178.83 180.26 2k0s h SER 37 N -0.13 0.67 0.27 -0.69 0.87 -1.09 0.40 113.55 113.84 2k0s h SER 37 Ca 0.16 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2k0s h SER 37 Cb 0.37 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2k0s h SER 37 CO -0.38 0.24 -0.13 0.15 -0.53 0.00 0.00 176.83 176.18 2k0s h PHE 38 N 0.65 -0.33 -0.51 2.24 3.57 -0.09 -1.83 116.94 120.64 2k0s h PHE 38 Ca 0.55 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.02 2k0s h PHE 38 Cb 1.01 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2k0s h PHE 38 CO -0.00 -0.03 0.19 1.98 -2.23 0.00 0.00 178.31 178.21 2k0s h MET 39 N -0.63 0.73 0.48 1.11 4.05 -0.47 -1.51 114.93 118.69 2k0s h MET 39 Ca -0.04 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.25 2k0s h MET 39 Cb 0.45 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2k0s h MET 39 CO 0.06 0.61 -0.23 1.49 0.23 0.00 0.00 176.91 179.07 2k0s h GLU 40 N 0.72 -0.62 -0.36 0.39 4.81 -0.17 0.27 114.58 119.63 2k0s h GLU 40 Ca 0.17 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2k0s h GLU 40 Cb 0.16 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2k0s h GLU 40 CO -0.02 -0.38 0.21 0.87 -0.73 0.00 0.00 179.01 178.97 2k0s h LYS 41 N -0.71 0.41 0.03 1.92 6.56 -1.19 0.25 116.57 123.84 2k0s h LYS 41 Ca -0.07 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2k0s h LYS 41 Cb 0.53 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2k0s h LYS 41 CO 0.11 0.27 -0.02 -0.92 -2.06 0.00 0.00 179.45 176.83 2k0s h TYR 42 N 0.42 -0.04 0.52 -1.35 3.20 -1.20 0.11 116.97 118.62 2k0s h TYR 42 Ca 0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2k0s h TYR 42 Cb 0.01 0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.30 2k0s h TYR 42 CO -0.08 0.02 -0.25 -0.92 -1.64 0.00 0.00 178.16 175.30 2k0s h TYR 43 N -0.10 -0.65 -0.25 -3.82 3.20 -0.25 -1.88 116.97 113.23 2k0s h TYR 43 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 2k0s h TYR 43 Cb 0.08 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2k0s h TYR 43 CO -0.06 -0.37 0.19 -0.07 -1.64 0.00 0.00 178.16 176.21 2k0s h LEU 44 N -0.76 0.00 -2.03 2.82 -0.00 -0.50 0.36 115.31 115.20 2k0s h LEU 44 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2k0s h LEU 44 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2k0s h LEU 44 CO 0.12 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 179.77 2k0s n GLU 45 N -4.37 2.61 0.00 1.13 2.13 0.37 -4.63 120.64 117.88 2k0s n GLU 45 Ca 0.03 -1.74 0.00 0.00 0.66 0.00 0.00 57.16 56.11 2k0s n GLU 45 Cb 0.34 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2k0s n GLU 45 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2k0s n PHE 46 N 0.62 0.00 -3.93 4.31 3.01 0.99 -4.99 117.46 117.47 2k0s n PHE 46 Ca 0.16 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.57 2k0s n PHE 46 Cb 0.57 0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 40.03 2k0s n PHE 46 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k0s n ASP 47 N -1.02 -0.25 -1.20 4.37 8.00 0.30 -5.08 116.55 121.67 2k0s n ASP 47 Ca 0.00 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.95 2k0s n ASP 47 Cb 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2k0s n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2k0s n ASP 48 N -2.41 0.66 -3.12 -2.24 2.03 -1.26 -4.07 116.55 106.14 2k0s n ASP 48 Ca 0.01 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.42 2k0s n ASP 48 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2k0s n ASP 48 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k0s n SER 49 N -2.12 -0.45 -1.42 1.67 7.64 -1.26 -4.32 113.62 113.36 2k0s n SER 49 Ca 0.00 -0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.52 2k0s n SER 49 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2k0s n SER 49 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0s n GLU 50 N -0.64 -1.21 -0.24 1.43 2.13 -1.26 -4.98 120.64 115.87 2k0s n GLU 50 Ca 0.00 1.05 0.00 0.00 0.66 0.00 0.00 57.16 58.87 2k0s n GLU 50 Cb 0.00 -5.31 0.00 0.00 0.27 0.00 0.00 31.44 26.40 2k0s n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k0s n GLU 51 N -2.53 1.85 -0.23 5.31 4.07 -1.26 -4.90 120.64 122.95 2k0s n GLU 51 Ca -0.18 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 56.96 2k0s n GLU 51 Cb 0.58 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.95 2k0s n GLU 51 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2k0s n ASN 52 N -1.00 -3.17 -3.02 4.31 3.02 -1.26 -3.63 115.26 110.51 2k0s n ASN 52 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2k0s n ASN 52 Cb 0.00 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2k0s n ASN 52 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2k0s n LYS 53 N -1.47 -1.92 0.18 3.52 4.81 -1.26 -4.69 118.16 117.33 2k0s n LYS 53 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 2k0s n LYS 53 Cb 0.11 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.26 2k0s n LYS 53 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k0s h LEU 54 N 0.00 0.00 0.09 3.14 4.07 -1.99 -2.99 115.31 117.63 2k0s h LEU 54 Ca 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 2k0s h LEU 54 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 2k0s h LEU 54 CO 0.00 0.14 -1.88 0.77 -1.08 0.00 0.00 178.44 176.39 2k0s h SER 55 N 0.00 0.28 0.14 -0.43 4.64 -1.95 -3.37 113.55 112.86 2k0s h SER 55 Ca -0.01 -0.63 -0.11 0.00 -0.47 0.00 0.00 61.79 60.57 2k0s h SER 55 Cb 1.11 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2k0s h SER 55 CO 0.02 1.56 -0.40 1.88 -0.87 0.00 0.00 176.83 179.02 2k0s h TYR 56 N 0.05 0.41 0.12 4.77 0.05 -1.88 -2.06 116.97 118.43 2k0s h TYR 56 Ca -0.37 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.31 2k0s h TYR 56 Cb 2.03 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 39.63 2k0s h TYR 56 CO 0.05 0.70 -0.53 1.79 -1.05 0.00 0.00 178.16 179.12 2k0s h THR 57 N 0.29 0.00 0.06 -2.88 1.35 -1.59 0.40 112.91 110.55 2k0s h THR 57 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2k0s h THR 57 Cb 0.84 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2k0s h THR 57 CO 0.07 0.00 -0.03 1.55 -0.25 0.00 0.00 175.52 176.86 2k0s h PRO 58 N -0.76 -0.08 -0.99 4.72 0.13 -1.73 -1.62 132.00 131.67 2k0s h PRO 58 Ca -0.01 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 2k0s h PRO 58 Cb 0.77 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.82 2k0s h PRO 58 CO -0.29 0.38 0.61 0.82 -0.23 0.00 0.00 178.00 179.29 2k0s h ILE 59 N -0.57 0.79 0.07 -3.56 2.04 -1.34 0.24 117.51 115.19 2k0s h ILE 59 Ca -0.01 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2k0s h ILE 59 Cb 0.49 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2k0s h ILE 59 CO 0.01 0.16 -0.04 0.15 0.00 0.00 0.00 178.15 178.43 2k0s h PHE 60 N 0.85 -0.09 -0.16 1.37 3.57 -0.21 -2.12 116.94 120.15 2k0s h PHE 60 Ca 0.54 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.08 2k0s h PHE 60 Cb 0.72 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2k0s h PHE 60 CO -0.01 0.43 -0.10 -0.97 -2.23 0.00 0.00 178.31 175.42 2k0s h ASN 61 N -0.68 -0.34 0.54 0.41 -0.00 -0.71 0.20 115.58 115.00 2k0s h ASN 61 Ca -0.01 0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.35 2k0s h ASN 61 Cb 0.56 0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 39.05 2k0s h ASN 61 CO 0.02 -0.14 -0.38 -0.33 -0.00 0.00 0.00 177.43 176.60 2k0s h GLU 62 N -0.10 -0.86 0.06 6.67 5.08 -0.62 0.26 114.58 125.07 2k0s h GLU 62 Ca 0.09 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2k0s h GLU 62 Cb 0.25 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2k0s h GLU 62 CO -0.22 -0.57 -0.37 1.88 -1.00 0.00 0.00 179.01 178.72 2k0s h TYR 63 N -0.89 -1.09 -0.75 4.33 0.05 -1.20 0.29 116.97 117.71 2k0s h TYR 63 Ca -0.06 0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.88 2k0s h TYR 63 Cb 0.74 0.47 -0.09 0.00 1.01 0.00 0.00 36.73 38.86 2k0s h TYR 63 CO -0.13 -0.41 0.32 0.82 -1.05 0.00 0.00 178.16 177.70 2k0s h ILE 64 N -0.51 0.70 -0.64 -2.88 1.08 -0.95 0.45 117.51 114.76 2k0s h ILE 64 Ca -0.00 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2k0s h ILE 64 Cb 0.53 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 2k0s h ILE 64 CO -0.22 0.09 0.37 -0.08 -0.69 0.00 0.00 178.15 177.63 2k0s h GLU 65 N 0.49 0.87 0.57 2.37 4.57 0.21 0.32 114.58 123.99 2k0s h GLU 65 Ca 0.40 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.48 2k0s h GLU 65 Cb 0.58 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2k0s h GLU 65 CO -0.37 0.62 -0.27 0.82 -1.18 0.00 0.00 179.01 178.63 2k0s h ILE 66 N 0.89 0.34 -0.01 2.32 2.04 0.17 -0.05 117.51 123.21 2k0s h ILE 66 Ca 0.23 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2k0s h ILE 66 Cb -0.01 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2k0s h ILE 66 CO -0.04 0.04 0.00 0.25 0.00 0.00 0.00 178.15 178.40 2k0s h LEU 67 N -0.98 0.02 -0.85 1.44 6.46 -1.23 -1.88 115.31 118.29 2k0s h LEU 67 Ca -0.08 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.59 2k0s h LEU 67 Cb 0.65 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.49 2k0s h LEU 67 CO 0.13 0.21 0.49 -0.33 -0.62 0.00 0.00 178.44 178.32 2k0s h GLU 68 N -0.17 0.76 0.44 1.25 5.08 -0.43 0.26 114.58 121.77 2k0s h GLU 68 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2k0s h GLU 68 Cb 0.20 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k0s h GLU 68 CO -0.00 0.50 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.08 2k0s h LYS 69 N 0.79 -0.56 0.14 2.33 3.11 -0.83 0.42 116.57 121.96 2k0s h LYS 69 Ca 0.43 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.31 2k0s h LYS 69 Cb 0.44 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 2k0s h LYS 69 CO -0.27 -0.31 -0.13 0.45 -2.81 0.00 0.00 179.45 176.38 2k0s h HIS 70 N -0.72 -0.34 -0.06 1.91 3.86 -0.91 -2.05 115.15 116.83 2k0s h HIS 70 Ca -0.06 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 2k0s h HIS 70 Cb 0.52 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2k0s h HIS 70 CO -0.02 -0.20 -0.09 -0.07 0.86 0.00 0.00 177.93 178.41 2k0s h LEU 71 N -0.30 0.09 0.42 2.43 3.38 -0.50 -2.04 115.31 118.79 2k0s h LEU 71 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k0s h LEU 71 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k0s h LEU 71 CO -0.03 0.20 -0.20 -0.08 0.09 0.00 0.00 178.44 178.42 2k0s h GLU 72 N 0.09 -0.55 -0.74 1.13 4.22 0.49 0.35 114.58 119.58 2k0s h GLU 72 Ca 0.02 0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 2k0s h GLU 72 Cb 0.23 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2k0s h GLU 72 CO 0.01 -0.32 0.33 0.37 -2.18 0.00 0.00 179.01 177.22 2k0s h GLN 73 N -0.65 1.07 0.06 1.92 4.15 -1.20 0.91 115.11 121.36 2k0s h GLN 73 Ca -0.06 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 2k0s h GLN 73 Cb 0.48 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2k0s h GLN 73 CO 0.10 0.84 -0.03 1.96 -1.93 0.00 0.00 178.83 179.77 2k0s h GLN 74 N 1.06 -0.07 -0.84 1.69 7.50 -1.22 -1.67 115.11 121.55 2k0s h GLN 74 Ca 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.37 2k0s h GLN 74 Cb 0.14 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.65 2k0s h GLN 74 CO -0.03 0.27 0.38 -0.07 -1.50 0.00 0.00 178.83 177.88 2k0s h LEU 75 N -0.42 1.12 0.10 1.46 -0.00 -0.16 0.29 115.31 117.70 2k0s h LEU 75 Ca -0.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.72 2k0s h LEU 75 Cb 0.37 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2k0s h LEU 75 CO 0.01 0.95 -0.05 0.58 -0.00 0.00 0.00 178.44 179.94 2k0s h VAL 76 N 1.20 0.93 -0.04 1.22 2.07 -0.79 -2.21 116.25 118.63 2k0s h VAL 76 Ca 0.29 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2k0s h VAL 76 Cb 0.15 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2k0s h VAL 76 CO -0.03 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 2k0s n GLU 77 N -5.13 1.27 0.00 1.57 1.02 -0.63 -4.21 120.64 114.54 2k0s n GLU 77 Ca -0.08 -0.40 -0.00 0.00 -0.02 0.00 0.00 57.16 56.66 2k0s n GLU 77 Cb 0.10 -1.39 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2k0s n GLU 77 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2k0s h ARG 78 N 0.87 -0.01 -7.00 3.49 9.65 0.25 -3.47 114.38 118.15 2k0s h ARG 78 Ca 0.00 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.29 2k0s h ARG 78 Cb 0.19 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.66 2k0s h ARG 78 CO 0.00 -0.01 -0.96 -0.89 2.80 0.00 0.00 179.97 180.92 2k0s n ILE 79 N -2.05 -1.71 -0.02 1.20 5.41 -1.24 -4.86 119.36 116.09 2k0s n ILE 79 Ca -0.00 -0.52 -0.13 0.00 1.00 0.00 0.00 62.75 63.10 2k0s n ILE 79 Cb 0.00 -1.53 -0.09 0.00 -0.71 0.00 0.00 39.64 37.31 2k0s n ILE 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2k0s h PRO 80 N -2.06 0.06 0.00 0.38 0.13 -1.90 -3.49 132.00 125.11 2k0s h PRO 80 Ca -0.66 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2k0s h PRO 80 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2k0s h PRO 80 CO 0.59 0.53 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2k0s n GLY 81 N 0.22 2.19 3.83 1.56 0.00 -1.26 -3.82 105.19 107.92 2k0s n GLY 81 Ca -0.08 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2k0s n GLY 81 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k0s s PHE 82 N 0.00 3.37 -0.06 1.61 2.19 -1.26 0.76 117.98 124.58 2k0s s PHE 82 Ca 0.00 1.50 -0.02 0.00 0.33 0.00 0.00 56.93 58.74 2k0s s PHE 82 Cb 0.00 -2.83 -0.02 0.00 -1.31 0.00 0.00 43.02 38.86 2k0s s PHE 82 CO 0.00 -0.43 0.97 0.09 1.83 0.00 0.00 175.22 177.68 2k0s n ASN 83 N -1.47 -1.56 -0.00 6.13 4.13 -1.26 -4.13 115.26 117.09 2k0s n ASN 83 Ca 0.07 -1.30 -0.01 0.00 1.68 0.00 0.00 54.58 55.02 2k0s n ASN 83 Cb 0.54 -0.54 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2k0s n ASN 83 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 2k0s h MET 84 N 8.75 -0.04 -2.93 3.52 4.05 -1.87 -3.43 114.93 122.99 2k0s h MET 84 Ca 0.00 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 2k0s h MET 84 Cb 0.89 0.01 -0.28 0.00 -0.80 0.00 0.00 31.60 31.43 2k0s h MET 84 CO 0.91 -0.03 -0.41 0.16 0.23 0.00 0.00 176.91 177.78 2k0s s ASP 85 N -3.91 -0.34 0.00 1.39 1.47 -1.26 -4.53 116.67 109.49 2k0s s ASP 85 Ca -0.01 0.63 0.22 0.00 1.18 0.00 0.00 52.55 54.58 2k0s s ASP 85 Cb 0.00 0.55 0.95 0.00 -0.34 0.00 0.00 42.92 44.08 2k0s s ASP 85 CO 0.02 -0.16 1.70 0.00 0.68 0.00 0.00 175.17 177.42 2k0s n ALA 86 N 3.87 2.01 -0.44 2.11 0.00 -1.26 -3.58 120.51 123.22 2k0s n ALA 86 Ca -0.21 -0.08 0.39 0.00 0.00 0.00 0.00 53.44 53.54 2k0s n ALA 86 Cb 0.55 -1.35 0.74 0.00 0.00 0.00 0.00 19.45 19.39 2k0s n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0s h PHE 87 N 0.00 0.11 -0.53 0.00 3.04 -1.93 0.52 116.94 118.16 2k0s h PHE 87 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2k0s h PHE 87 Cb 0.37 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 2k0s h PHE 87 CO 0.00 -0.02 0.23 0.00 -2.02 0.00 0.00 178.31 176.51 2k0s h THR 88 N 0.04 1.21 0.39 4.41 1.03 -1.94 0.59 112.91 118.63 2k0s h THR 88 Ca 0.70 -0.62 -0.01 0.00 -0.01 0.00 0.00 66.41 66.47 2k0s h THR 88 Cb 2.65 0.64 -0.01 0.00 -1.07 0.00 0.00 68.15 70.36 2k0s h THR 88 CO -0.08 0.24 -0.25 -0.74 -0.01 0.00 0.00 175.52 174.69 2k0s h HIS 89 N 0.71 -0.65 0.00 0.00 -0.00 -0.23 -2.01 115.15 112.98 2k0s h HIS 89 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 2k0s h HIS 89 Cb 0.16 0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 2k0s h HIS 89 CO 0.00 -0.38 0.00 0.45 -0.00 0.00 0.00 177.93 178.00 2k0s n SER 90 N -5.38 0.52 0.12 3.26 2.88 -1.15 -3.05 113.62 110.81 2k0s n SER 90 Ca -0.10 0.58 -0.05 0.00 -1.33 0.00 0.00 58.87 57.97 2k0s n SER 90 Cb 0.28 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.01 2k0s n SER 90 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k0s h LEU 91 N 0.00 -0.28 0.00 2.46 5.85 0.86 -3.44 115.31 120.75 2k0s h LEU 91 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k0s h LEU 91 Cb 0.51 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2k0s h LEU 91 CO 0.00 -0.05 0.00 0.29 -0.34 0.00 0.00 178.44 178.34 2k0s n LYS 92 N -3.77 0.00 0.00 1.25 5.02 -0.82 -5.06 118.16 114.78 2k0s n LYS 92 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2k0s n LYS 92 Cb 0.13 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 2k0s n LYS 92 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k0s n GLN 93 N -0.44 0.00 -3.28 1.97 1.13 -1.18 -5.08 117.38 110.51 2k0s n GLN 93 Ca 0.00 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 2k0s n GLN 93 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 2k0s n GLN 93 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2k0s s HIS 94 N -0.65 -1.39 -2.22 1.08 -3.43 -1.17 -4.48 115.29 103.04 2k0s s HIS 94 Ca 0.00 1.71 0.28 0.00 -0.80 0.00 0.00 55.06 56.25 2k0s s HIS 94 Cb 0.00 0.58 1.36 0.00 -1.43 0.00 0.00 32.58 33.08 2k0s s HIS 94 CO 0.00 -0.74 1.91 0.36 -2.00 0.00 0.00 174.74 174.27 2k0s n LYS 95 N 5.41 1.33 -0.34 -0.38 -0.00 -1.26 -4.05 118.16 118.87 2k0s n LYS 95 Ca -0.05 -0.49 0.13 0.00 -0.00 0.00 0.00 58.31 57.91 2k0s n LYS 95 Cb 0.51 -1.46 0.32 0.00 -0.00 0.00 0.00 35.03 34.40 2k0s n LYS 95 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0s h ASP 96 N 1.14 0.70 -0.67 -5.58 2.03 -1.95 0.32 116.42 112.40 2k0s h ASP 96 Ca 0.00 0.11 0.19 0.00 -0.73 0.00 0.00 57.03 56.60 2k0s h ASP 96 Cb 0.24 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.71 2k0s h ASP 96 CO 0.00 0.21 0.48 -0.33 -1.03 0.00 0.00 179.24 178.58 2k0s h GLU 97 N 0.68 0.00 -1.58 4.15 5.08 -2.04 -3.35 114.58 117.53 2k0s h GLU 97 Ca 0.58 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.76 2k0s h GLU 97 Cb 0.94 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.92 2k0s h GLU 97 CO -0.41 0.00 -0.53 0.14 -1.00 0.00 0.00 179.01 177.21 2k0s s VAL 98 N -4.99 -0.68 0.00 3.13 -7.23 0.11 -5.01 120.40 105.73 2k0s s VAL 98 Ca -0.05 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2k0s s VAL 98 Cb 0.20 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.28 2k0s s VAL 98 CO 0.74 -0.26 0.00 -0.24 -0.31 0.00 0.00 175.10 175.03 2k0s n SER 99 N 5.14 1.62 -0.63 4.85 2.88 -1.13 -4.75 113.62 121.60 2k0s n SER 99 Ca 0.03 -0.47 0.49 0.00 -1.33 0.00 0.00 58.87 57.60 2k0s n SER 99 Cb 0.50 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.74 2k0s n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k0s n GLY 100 N 5.00 -0.94 0.13 0.46 0.00 -1.25 -0.03 105.19 108.57 2k0s n GLY 100 Ca 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 46.02 46.70 2k0s n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k0s h ASP 101 N 0.00 -0.43 0.21 1.61 5.19 -1.93 0.68 116.42 121.75 2k0s h ASP 101 Ca 0.93 0.04 -0.29 0.00 -0.62 0.00 0.00 57.03 57.09 2k0s h ASP 101 Cb 3.46 0.16 0.03 0.00 0.18 0.00 0.00 39.33 43.16 2k0s h ASP 101 CO -0.18 -0.15 -1.33 -0.29 -3.12 0.00 0.00 179.24 174.17 2k0s h ILE 102 N -0.20 1.28 0.22 0.35 2.10 -1.51 -3.00 117.51 116.74 2k0s h ILE 102 Ca -0.00 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.34 2k0s h ILE 102 Cb 0.20 3.03 -0.04 0.00 -1.09 0.00 0.00 36.82 38.92 2k0s h ILE 102 CO -0.08 0.78 -0.48 -0.07 -1.08 0.00 0.00 178.15 177.23 2k0s h LEU 103 N -0.04 -1.40 -1.88 2.19 -0.00 -0.50 -1.42 115.31 112.26 2k0s h LEU 103 Ca -0.24 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2k0s h LEU 103 Cb 1.99 0.50 -0.00 0.00 -0.00 0.00 0.00 40.66 43.14 2k0s h LEU 103 CO 0.21 -0.54 -0.01 -2.24 -0.00 0.00 0.00 178.44 175.86 2k0s h ASP 104 N -0.76 0.05 -0.04 -0.43 2.03 0.28 0.62 116.42 118.16 2k0s h ASP 104 Ca -0.02 -0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.31 2k0s h ASP 104 Cb 0.73 -0.01 -0.06 0.00 -0.83 0.00 0.00 39.33 39.16 2k0s h ASP 104 CO -0.20 0.07 -0.39 -0.03 -1.03 0.00 0.00 179.24 177.66 2k0s h MET 105 N 0.05 -0.50 0.07 4.15 4.05 -1.12 0.76 114.93 122.39 2k0s h MET 105 Ca 0.01 0.03 -0.31 0.00 -0.28 0.00 0.00 59.70 59.16 2k0s h MET 105 Cb 0.06 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 2k0s h MET 105 CO 0.00 -0.33 -1.71 1.28 0.23 0.00 0.00 176.91 176.38 2k0s n LEU 106 N -5.44 2.31 0.00 3.39 4.32 -1.00 -3.95 117.00 116.63 2k0s n LEU 106 Ca -0.05 0.30 0.08 0.00 -0.02 0.00 0.00 56.01 56.32 2k0s n LEU 106 Cb 0.36 -1.05 0.47 0.00 -1.62 0.00 0.00 43.42 41.58 2k0s n LEU 106 CO 0.16 0.61 0.68 -0.11 -1.22 0.00 0.00 177.39 177.51 2k0s n LEU 107 N -3.89 0.00 -0.17 2.23 -0.00 0.21 -3.72 117.00 111.66 2k0s n LEU 107 Ca -0.33 0.00 0.27 0.00 -0.00 0.00 0.00 56.01 55.95 2k0s n LEU 107 Cb 0.89 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.78 2k0s n LEU 107 CO 0.32 0.00 1.25 0.00 -0.00 0.00 0.00 177.39 178.96 2k0s h THR 108 N 0.00 0.04 -0.75 1.96 1.03 0.42 0.37 112.91 115.98 2k0s h THR 108 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 66.41 66.62 2k0s h THR 108 Cb 0.00 0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 67.13 2k0s h THR 108 CO 0.00 0.00 0.73 0.15 -0.01 0.00 0.00 175.52 176.39 2k0s h PHE 109 N 0.00 0.00 -0.28 0.00 3.57 -1.83 -3.12 116.94 115.28 2k0s h PHE 109 Ca 0.45 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.68 2k0s h PHE 109 Cb 2.70 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 41.27 2k0s h PHE 109 CO 0.00 0.00 -0.57 -2.37 -2.23 0.00 0.00 178.31 173.14 2k0s n THR 110 N -3.70 -0.08 -0.51 4.41 5.66 0.13 -5.15 114.28 115.04 2k0s n THR 110 Ca 0.16 -1.87 -0.18 0.00 -3.05 0.00 0.00 64.05 59.10 2k0s n THR 110 Cb 0.99 1.08 0.15 0.00 -1.55 0.00 0.00 70.33 71.01 2k0s n THR 110 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2k0s n ASP 111 N 1.29 -3.06 0.08 1.09 5.68 -1.18 -4.44 116.55 116.01 2k0s n ASP 111 Ca 0.10 -0.41 0.06 0.00 -0.50 0.00 0.00 54.79 54.04 2k0s n ASP 111 Cb 0.64 -0.78 0.30 0.00 -1.14 0.00 0.00 41.12 40.14 2k0s n ASP 111 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2k0s n PHE 112 N -4.47 0.37 -0.36 2.11 -1.74 -1.26 -3.26 117.46 108.85 2k0s n PHE 112 Ca 0.06 0.19 -0.05 0.00 -0.56 0.00 0.00 57.45 57.09 2k0s n PHE 112 Cb 0.36 -0.81 -0.03 0.00 1.52 0.00 0.00 39.48 40.53 2k0s n PHE 112 CO 0.00 0.00 0.00 -0.12 -0.56 0.00 0.00 176.76 176.08 2k0s n MET 113 N -1.88 -0.30 -0.06 3.97 1.56 -1.26 0.22 117.12 119.37 2k0s n MET 113 Ca -0.01 1.37 -0.08 0.00 -0.27 0.00 0.00 57.70 58.71 2k0s n MET 113 Cb 0.02 -2.03 -0.07 0.00 2.15 0.00 0.00 33.22 33.29 2k0s n MET 113 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k0s h ALA 114 N 0.85 -0.01 0.16 -5.12 0.00 -1.87 -2.59 119.26 110.69 2k0s h ALA 114 Ca 0.23 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k0s h ALA 114 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2k0s h ALA 114 CO -0.87 -0.01 -0.45 0.74 0.00 0.00 0.00 179.25 178.66 2k0s h PHE 115 N -0.99 -1.30 -0.71 0.00 -1.00 -1.58 -1.75 116.94 109.61 2k0s h PHE 115 Ca -0.00 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.87 2k0s h PHE 115 Cb 0.56 0.55 -0.04 0.00 3.61 0.00 0.00 35.95 40.62 2k0s h PHE 115 CO 0.15 -0.52 0.47 -0.22 -1.61 0.00 0.00 178.31 176.58 2k0s h LYS 116 N -0.68 0.72 -0.40 1.51 3.11 0.25 0.20 116.57 121.27 2k0s h LYS 116 Ca -0.01 -0.04 0.04 0.00 -2.81 0.00 0.00 60.65 57.83 2k0s h LYS 116 Cb 0.67 -0.16 -0.07 0.00 -1.00 0.00 0.00 32.23 31.67 2k0s h LYS 116 CO -0.21 0.48 -0.45 0.93 -2.81 0.00 0.00 179.45 177.38 2k0s h GLU 117 N 0.74 -0.26 0.01 1.90 4.39 -0.90 1.17 114.58 121.63 2k0s h GLU 117 Ca 0.30 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 2k0s h GLU 117 Cb 0.25 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k0s h GLU 117 CO -0.10 -0.17 -0.11 0.52 -1.16 0.00 0.00 179.01 177.99 2k0s h MET 118 N -0.27 0.01 0.35 2.33 2.86 -1.31 -2.81 114.93 116.10 2k0s h MET 118 Ca 0.07 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2k0s h MET 118 Cb 0.45 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2k0s h MET 118 CO -0.52 1.01 -0.50 0.35 1.06 0.00 0.00 176.91 178.32 2k0s h PHE 119 N -0.97 -1.41 -0.53 -0.22 3.04 -0.55 -1.70 116.94 114.60 2k0s h PHE 119 Ca -0.03 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2k0s h PHE 119 Cb 1.05 0.57 -0.05 0.00 2.56 0.00 0.00 35.95 40.07 2k0s h PHE 119 CO 0.27 -0.63 0.24 1.15 -2.02 0.00 0.00 178.31 177.32 2k0s h THR 120 N -0.89 0.89 -0.76 4.41 2.02 0.13 0.31 112.91 119.02 2k0s h THR 120 Ca -0.04 -0.16 0.17 0.00 0.77 0.00 0.00 66.41 67.15 2k0s h THR 120 Cb 0.81 0.39 -0.11 0.00 -1.74 0.00 0.00 68.15 67.50 2k0s h THR 120 CO -0.14 0.08 0.20 0.44 0.37 0.00 0.00 175.52 176.47 2k0s h ASP 121 N 0.46 0.04 0.04 4.18 5.19 -1.20 0.86 116.42 125.99 2k0s h ASP 121 Ca 0.25 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.81 2k0s h ASP 121 Cb 0.21 0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2k0s h ASP 121 CO -0.21 -0.04 -0.02 1.88 -3.12 0.00 0.00 179.24 177.73 2k0s h TYR 122 N 0.28 -0.05 -0.09 4.55 0.05 -0.58 -2.59 116.97 118.53 2k0s h TYR 122 Ca 0.44 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.26 2k0s h TYR 122 Cb 0.76 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.45 2k0s h TYR 122 CO -0.25 0.21 -0.39 -0.09 -1.05 0.00 0.00 178.16 176.58 2k0s h ARG 123 N -1.00 -0.47 0.46 4.88 9.65 -0.20 0.33 114.38 128.02 2k0s h ARG 123 Ca -0.01 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2k0s h ARG 123 Cb 0.29 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2k0s h ARG 123 CO 0.01 -0.32 -0.30 0.00 2.80 0.00 0.00 179.97 182.16 2k0s h ALA 124 N 0.15 -1.11 -0.44 2.80 0.00 0.58 0.47 119.26 121.71 2k0s h ALA 124 Ca 0.07 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2k0s h ALA 124 Cb 0.61 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2k0s h ALA 124 CO -0.36 -1.09 0.60 1.49 0.00 0.00 0.00 179.25 179.89 2k0s h GLU 125 N -0.72 0.00 0.01 0.00 4.81 -1.35 0.15 114.58 117.48 2k0s h GLU 125 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2k0s h GLU 125 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k0s h GLU 125 CO 0.05 0.00 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.01 2k0s h LYS 126 N 0.00 0.05 0.00 1.92 3.64 0.45 -3.26 116.57 119.36 2k0s h LYS 126 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2k0s h LYS 126 Cb 1.42 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2k0s h LYS 126 CO -0.00 0.95 0.00 0.39 -2.27 0.00 0.00 179.45 178.52 2k0s n GLU 127 N -4.59 0.18 0.00 1.90 -0.58 0.15 -4.81 120.64 112.89 2k0s n GLU 127 Ca -0.10 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 2k0s n GLU 127 Cb 0.48 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2k0s n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k0s n GLY 128 N -0.25 0.99 0.33 0.62 0.00 -0.15 -5.04 105.19 101.70 2k0s n GLY 128 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2k0s n GLY 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k0s n ARG 129 N 0.00 -0.34 0.00 1.61 0.00 0.27 -4.95 116.66 113.25 2k0s n ARG 129 Ca 0.00 1.36 0.00 0.00 -0.00 0.00 0.00 57.85 59.21 2k0s n ARG 129 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 30.45 2k0s n ARG 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04