#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ewi n PRO 2 N 0.00 1.42 -4.27 0.00 -0.02 -1.26 -5.01 135.00 125.86 2ewi n PRO 2 Ca 0.00 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 2ewi n PRO 2 Cb 0.00 -1.92 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 2ewi n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ewi s LYS 3 N -1.33 2.50 0.30 -0.52 3.01 -1.26 -5.07 119.74 117.37 2ewi s LYS 3 Ca 0.61 -0.81 -0.30 0.00 -1.01 0.00 0.00 55.97 54.47 2ewi s LYS 3 Cb -0.71 -2.50 -0.12 0.00 -1.01 0.00 0.00 37.83 33.49 2ewi s LYS 3 CO 0.58 0.56 1.52 0.00 0.51 0.00 0.00 175.35 178.53 2ewi n ALA 4 N 1.02 2.18 -1.87 5.17 0.00 -1.26 -4.99 120.51 120.75 2ewi n ALA 4 Ca -0.13 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 2ewi n ALA 4 Cb 0.52 -2.41 0.14 0.00 0.00 0.00 0.00 19.45 17.71 2ewi n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ewi s PRO 5 N -0.84 1.17 0.78 0.00 0.04 -1.26 -5.02 135.00 129.86 2ewi s PRO 5 Ca 0.62 -0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.37 2ewi s PRO 5 Cb -0.52 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.18 2ewi s PRO 5 CO 0.52 -2.10 1.10 0.00 0.04 0.00 0.00 177.00 176.56 2ewi n ALA 6 N -3.61 -0.12 -0.89 8.56 0.00 -1.26 -4.71 120.51 118.48 2ewi n ALA 6 Ca 0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 2ewi n ALA 6 Cb 0.60 -2.19 0.19 0.00 0.00 0.00 0.00 19.45 18.05 2ewi n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ewi s ASP 7 N -1.91 2.40 0.00 0.00 1.01 -1.26 -4.17 116.67 112.74 2ewi s ASP 7 Ca 0.73 1.58 0.00 0.00 0.71 0.00 0.00 52.55 55.57 2ewi s ASP 7 Cb -0.31 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2ewi s ASP 7 CO 0.51 -3.33 0.00 0.61 0.21 0.00 0.00 175.17 173.17 2ewi n GLY 8 N -0.24 0.47 3.69 0.21 0.00 -1.22 -5.01 105.19 103.10 2ewi n GLY 8 Ca 0.06 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2ewi n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ewi s LEU 9 N 0.00 4.33 -0.24 0.99 0.20 -0.97 -4.82 118.68 118.17 2ewi s LEU 9 Ca 0.00 2.15 -0.11 0.00 0.69 0.00 0.00 54.13 56.86 2ewi s LEU 9 Cb 0.00 -3.56 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 2ewi s LEU 9 CO 0.00 -0.71 0.20 -0.75 -0.29 0.00 0.00 176.35 174.79 2ewi s LYS 10 N 2.23 4.07 -0.37 1.98 2.20 -1.26 -0.34 119.74 128.25 2ewi s LYS 10 Ca 0.64 -0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 55.84 2ewi s LYS 10 Cb -0.32 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 2ewi s LYS 10 CO 0.27 0.01 0.63 -1.64 -0.36 0.00 0.00 175.35 174.27 2ewi s MET 11 N 1.19 3.60 -0.27 4.03 -1.94 0.51 -4.93 119.30 121.49 2ewi s MET 11 Ca 0.09 -0.04 0.22 0.00 -1.71 0.00 0.00 55.69 54.25 2ewi s MET 11 Cb -0.14 -3.84 0.50 0.00 2.01 0.00 0.00 34.83 33.36 2ewi s MET 11 CO 0.06 -0.79 1.12 -0.40 -0.01 0.00 0.00 175.02 175.00 2ewi n ASP 12 N 6.08 1.35 0.17 3.03 5.68 -1.26 -0.90 116.55 130.70 2ewi n ASP 12 Ca -0.01 -2.12 0.14 0.00 -0.50 0.00 0.00 54.79 52.30 2ewi n ASP 12 Cb 0.48 -0.40 0.53 0.00 -1.14 0.00 0.00 41.12 40.59 2ewi n ASP 12 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2ewi h LYS 13 N 2.56 0.00 -5.22 0.11 1.79 -1.96 -3.46 116.57 110.39 2ewi h LYS 13 Ca -0.15 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.75 2ewi h LYS 13 Cb 1.26 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.78 2ewi h LYS 13 CO 0.19 0.00 -0.56 0.95 -1.08 0.00 0.00 179.45 178.96 2ewi s THR 14 N -3.40 1.10 -2.01 -0.16 -4.23 -1.26 -5.03 115.64 100.65 2ewi s THR 14 Ca 0.04 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.68 2ewi s THR 14 Cb 0.09 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.76 2ewi s THR 14 CO 0.46 0.00 1.49 0.29 -0.54 0.00 0.00 174.62 176.32 2ewi n LYS 15 N -0.93 1.03 -3.17 3.99 5.02 -1.26 -3.95 118.16 118.89 2ewi n LYS 15 Ca -0.08 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 55.91 2ewi n LYS 15 Cb 0.66 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 2ewi n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ewi n GLN 16 N -0.66 2.40 -1.82 1.97 1.13 -1.26 -5.10 117.38 114.05 2ewi n GLN 16 Ca 0.10 -4.41 -0.35 0.00 -1.94 0.00 0.00 57.00 50.40 2ewi n GLN 16 Cb 0.05 -2.06 0.05 0.00 0.11 0.00 0.00 30.24 28.40 2ewi n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2ewi s PRO 17 N -2.73 2.74 -0.01 -1.09 0.04 -1.25 -4.99 135.00 127.70 2ewi s PRO 17 Ca 0.43 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.17 2ewi s PRO 17 Cb 0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2ewi s PRO 17 CO -0.08 -1.36 -0.06 0.08 0.04 0.00 0.00 177.00 175.62 2ewi s VAL 18 N -1.90 0.51 -0.05 -0.36 1.01 -0.08 -4.88 120.40 114.65 2ewi s VAL 18 Ca 0.74 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 2ewi s VAL 18 Cb -0.27 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2ewi s VAL 18 CO 0.38 0.16 0.51 -0.69 0.00 0.00 0.00 175.10 175.46 2ewi s VAL 19 N 0.12 5.04 -0.13 2.92 1.01 -1.26 -0.36 120.40 127.74 2ewi s VAL 19 Ca -0.01 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2ewi s VAL 19 Cb -0.06 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2ewi s VAL 19 CO -0.00 0.42 -0.21 -0.47 0.00 0.00 0.00 175.10 174.84 2ewi s TYR 20 N -0.09 2.66 -0.24 5.22 5.04 0.54 -4.96 117.35 125.52 2ewi s TYR 20 Ca 0.27 -1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 53.73 2ewi s TYR 20 Cb -0.17 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.36 2ewi s TYR 20 CO 0.14 -0.49 -0.03 -0.80 -1.34 0.00 0.00 175.55 173.02 2ewi s ASN 21 N 0.62 4.42 0.39 4.32 0.01 -1.26 -2.28 114.94 121.16 2ewi s ASN 21 Ca -0.11 -0.64 0.09 0.00 -0.71 0.00 0.00 52.86 51.48 2ewi s ASN 21 Cb -0.16 -1.73 0.81 0.00 0.41 0.00 0.00 41.25 40.58 2ewi s ASN 21 CO 0.03 -0.09 1.96 0.45 -1.51 0.00 0.00 177.10 177.93 2ewi h HIS 22 N 8.09 0.34 0.00 2.20 3.86 -1.84 -3.16 115.15 124.64 2ewi h HIS 22 Ca -0.36 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 2ewi h HIS 22 Cb 1.13 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 2ewi h HIS 22 CO 0.58 0.36 -0.13 0.66 0.86 0.00 0.00 177.93 180.26 2ewi h SER 23 N 0.33 0.00 0.02 2.45 4.64 -1.94 -0.39 113.55 118.65 2ewi h SER 23 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2ewi h SER 23 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ewi h SER 23 CO 0.01 0.13 -0.01 0.35 -0.87 0.00 0.00 176.83 176.44 2ewi n THR 24 N -3.37 0.00 -1.02 2.95 -2.24 -1.19 -3.73 114.28 105.68 2ewi n THR 24 Ca -0.00 -0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.75 2ewi n THR 24 Cb 0.33 0.01 0.16 0.00 -2.10 0.00 0.00 70.33 68.72 2ewi n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ewi n HIS 25 N -0.43 0.17 0.30 4.78 8.25 -0.16 -4.77 115.22 123.36 2ewi n HIS 25 Ca 0.21 -0.96 0.17 0.00 -0.26 0.00 0.00 57.72 56.87 2ewi n HIS 25 Cb 0.24 -0.18 0.91 0.00 1.12 0.00 0.00 29.99 32.09 2ewi n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2ewi h LYS 26 N 0.34 0.00 0.00 -0.41 1.57 -1.63 -1.45 116.57 114.99 2ewi h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ewi h LYS 26 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2ewi h LYS 26 CO 0.04 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 2ewi n ALA 27 N -2.22 1.85 -2.72 3.86 0.00 -1.26 -4.67 120.51 115.34 2ewi n ALA 27 Ca -0.02 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 2ewi n ALA 27 Cb 0.16 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 2ewi n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ewi s VAL 28 N -2.94 5.32 0.50 0.00 1.01 -0.55 -5.07 120.40 118.67 2ewi s VAL 28 Ca 0.10 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 2ewi s VAL 28 Cb 0.12 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 2ewi s VAL 28 CO 0.32 0.44 1.28 -1.59 0.00 0.00 0.00 175.10 175.55 2ewi s LYS 29 N 0.18 3.46 0.26 2.72 -2.85 -1.26 -4.89 119.74 117.36 2ewi s LYS 29 Ca 0.16 2.05 -0.02 0.00 -1.00 0.00 0.00 55.97 57.16 2ewi s LYS 29 Cb -0.13 -2.37 0.49 0.00 -2.06 0.00 0.00 37.83 33.76 2ewi s LYS 29 CO 0.04 -0.87 1.80 0.00 0.10 0.00 0.00 175.35 176.41 2ewi n GLY 31 N -1.33 -0.85 0.24 0.00 0.00 -1.26 -1.08 105.19 100.92 2ewi n GLY 31 Ca 0.16 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2ewi n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ewi h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.50 -3.28 116.42 118.44 2ewi h ASP 32 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 2ewi h ASP 32 Cb 0.09 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 2ewi h ASP 32 CO 0.00 0.02 -1.32 0.00 -3.12 0.00 0.00 179.24 174.82 2ewi n HIS 34 N -3.86 3.47 -2.13 0.00 8.25 -0.24 -4.96 115.22 115.75 2ewi n HIS 34 Ca -0.21 -2.94 -0.29 0.00 -0.26 0.00 0.00 57.72 54.02 2ewi n HIS 34 Cb 0.54 -2.44 0.04 0.00 1.12 0.00 0.00 29.99 29.24 2ewi n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ewi s HIS 35 N 2.68 3.31 0.37 4.41 -0.00 -1.23 -3.35 115.29 121.48 2ewi s HIS 35 Ca 0.46 0.87 -0.28 0.00 -0.00 0.00 0.00 55.06 56.11 2ewi s HIS 35 Cb 0.13 -2.90 -0.11 0.00 -0.00 0.00 0.00 32.58 29.70 2ewi s HIS 35 CO -0.07 -0.99 1.51 -2.14 -0.00 0.00 0.00 174.74 173.05 2ewi s PRO 36 N -5.18 4.10 -0.05 -0.38 0.02 -1.26 -1.52 135.00 130.73 2ewi s PRO 36 Ca 0.56 2.59 -0.00 0.00 0.02 0.00 0.00 61.00 64.17 2ewi s PRO 36 Cb -0.11 -2.97 0.03 0.00 0.02 0.00 0.00 34.50 31.47 2ewi s PRO 36 CO 0.49 -0.56 -0.01 0.08 -0.33 0.00 0.00 177.00 176.67 2ewi s VAL 37 N -1.02 0.33 -1.36 3.83 1.01 -0.12 -4.80 120.40 118.28 2ewi s VAL 37 Ca 0.54 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 2ewi s VAL 37 Cb -0.47 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.52 2ewi s VAL 37 CO 0.62 0.21 0.50 0.59 0.00 0.00 0.00 175.10 177.03 2ewi n ASN 38 N 4.56 -4.48 0.00 3.32 3.02 -1.26 -1.85 115.26 118.57 2ewi n ASN 38 Ca -0.17 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2ewi n ASN 38 Cb 0.50 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 2ewi n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ewi n GLY 39 N -1.27 0.90 2.95 7.41 0.00 -1.26 -5.03 105.19 108.89 2ewi n GLY 39 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2ewi n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ewi s LYS 40 N -0.40 1.03 0.15 1.61 1.02 -0.77 -5.00 119.74 117.37 2ewi s LYS 40 Ca 0.00 -0.22 -0.34 0.00 0.02 0.00 0.00 55.97 55.42 2ewi s LYS 40 Cb 0.00 -0.95 -0.15 0.00 -0.52 0.00 0.00 37.83 36.21 2ewi s LYS 40 CO 0.00 -0.00 1.48 0.39 -0.92 0.00 0.00 175.35 176.30 2ewi n GLU 41 N 3.76 1.81 -3.80 1.68 1.02 -1.26 -0.94 120.64 122.90 2ewi n GLU 41 Ca -0.23 0.65 -0.36 0.00 -0.02 0.00 0.00 57.16 57.20 2ewi n GLU 41 Cb 0.52 -2.36 -0.13 0.00 -0.02 0.00 0.00 31.44 29.45 2ewi n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ewi s ASP 42 N 0.69 4.88 -0.00 1.62 -1.08 -0.58 -4.86 116.67 117.34 2ewi s ASP 42 Ca 0.79 -0.46 0.23 0.00 -0.52 0.00 0.00 52.55 52.59 2ewi s ASP 42 Cb -0.76 -1.85 0.66 0.00 -1.46 0.00 0.00 42.92 39.51 2ewi s ASP 42 CO 0.42 -0.09 1.55 -1.22 0.52 0.00 0.00 175.17 176.35 2ewi n TYR 43 N 4.86 1.02 -1.12 -5.34 4.01 -1.26 -4.02 117.16 115.31 2ewi n TYR 43 Ca -0.16 -0.50 -0.30 0.00 -0.16 0.00 0.00 57.90 56.77 2ewi n TYR 43 Cb 0.50 -0.01 0.13 0.00 -0.31 0.00 0.00 39.34 39.65 2ewi n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2ewi s GLN 44 N -1.03 1.40 0.39 -0.72 -0.21 -1.26 -4.95 119.66 113.28 2ewi s GLN 44 Ca 0.50 1.02 -0.27 0.00 0.02 0.00 0.00 55.36 56.64 2ewi s GLN 44 Cb 0.26 -1.81 -0.11 0.00 1.00 0.00 0.00 33.01 32.36 2ewi s GLN 44 CO 0.34 -2.20 1.31 1.63 -2.12 0.00 0.00 175.29 174.25 2ewi n LYS 45 N -3.88 2.10 0.14 2.91 5.02 -1.26 -4.85 118.16 118.34 2ewi n LYS 45 Ca 0.08 0.74 0.07 0.00 -2.02 0.00 0.00 58.31 57.18 2ewi n LYS 45 Cb 0.54 -2.41 0.55 0.00 -0.02 0.00 0.00 35.03 33.69 2ewi n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ewi n ALA 47 N -2.51 3.13 -1.52 0.00 0.00 -1.26 -0.78 120.51 117.56 2ewi n ALA 47 Ca -0.00 -1.22 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 2ewi n ALA 47 Cb 0.09 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.51 2ewi n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ewi n THR 48 N 0.66 2.23 -1.67 0.00 -1.04 -0.71 -4.34 114.28 109.41 2ewi n THR 48 Ca 0.19 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.05 61.25 2ewi n THR 48 Cb 0.77 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 2ewi n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ewi n ALA 49 N -0.92 1.12 0.00 2.41 0.00 -1.26 -0.62 120.51 121.24 2ewi n ALA 49 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2ewi n ALA 49 Cb 0.41 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2ewi n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ewi n GLY 50 N 2.18 2.29 0.00 0.00 0.00 -1.26 -4.97 105.19 103.43 2ewi n GLY 50 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2ewi n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ewi n HIS 52 N 0.00 2.61 0.46 0.00 8.25 0.04 -4.26 115.22 122.31 2ewi n HIS 52 Ca 0.00 -2.67 0.12 0.00 -0.26 0.00 0.00 57.72 54.91 2ewi n HIS 52 Cb 0.00 -1.53 0.21 0.00 1.12 0.00 0.00 29.99 29.79 2ewi n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2ewi n ASP 53 N 1.58 3.33 -4.48 0.41 5.75 -0.86 -4.15 116.55 118.13 2ewi n ASP 53 Ca 0.44 -1.98 -0.43 0.00 -0.01 0.00 0.00 54.79 52.80 2ewi n ASP 53 Cb 0.30 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 2ewi n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2ewi s ASN 54 N -1.58 6.26 -0.04 -1.12 3.84 0.01 -4.91 114.94 117.39 2ewi s ASN 54 Ca 0.37 -0.64 0.07 0.00 0.21 0.00 0.00 52.86 52.88 2ewi s ASN 54 Cb 0.22 -2.29 0.28 0.00 -0.55 0.00 0.00 41.25 38.91 2ewi s ASN 54 CO 0.31 -0.81 1.09 0.23 -2.79 0.00 0.00 177.10 175.14 2ewi n MET 55 N 6.15 2.06 -2.77 0.43 2.81 -1.26 -1.74 117.12 122.80 2ewi n MET 55 Ca -0.04 -1.10 -0.43 0.00 -1.81 0.00 0.00 57.70 54.31 2ewi n MET 55 Cb 0.47 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 2ewi n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ewi s ASP 56 N -0.66 6.73 0.00 7.83 3.68 -1.26 -4.93 116.67 128.06 2ewi s ASP 56 Ca 0.20 0.67 0.16 0.00 2.13 0.00 0.00 52.55 55.71 2ewi s ASP 56 Cb 0.13 -2.48 0.80 0.00 -1.45 0.00 0.00 42.92 39.91 2ewi s ASP 56 CO 0.10 -0.87 1.49 2.29 0.13 0.00 0.00 175.17 178.31 2ewi n LYS 57 N 6.82 0.17 0.00 4.34 2.85 -1.26 -1.59 118.16 129.49 2ewi n LYS 57 Ca 0.08 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.61 2ewi n LYS 57 Cb 0.48 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.49 2ewi n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ewi n LYS 58 N -1.34 0.03 -2.22 -1.58 5.02 -1.26 -4.66 118.16 112.15 2ewi n LYS 58 Ca 0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 2ewi n LYS 58 Cb 0.15 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 2ewi n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ewi s ASP 59 N -3.10 6.85 -0.01 4.39 2.15 -0.62 -4.92 116.67 121.41 2ewi s ASP 59 Ca 0.10 2.55 0.02 0.00 0.43 0.00 0.00 52.55 55.65 2ewi s ASP 59 Cb 0.17 -2.64 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2ewi s ASP 59 CO 0.75 -0.46 1.03 0.29 -0.17 0.00 0.00 175.17 176.61 2ewi n LYS 60 N 0.80 2.83 -1.56 4.34 4.76 -1.26 -4.28 118.16 123.79 2ewi n LYS 60 Ca 0.00 -1.63 -0.30 0.00 -2.87 0.00 0.00 58.31 53.51 2ewi n LYS 60 Cb 0.43 -1.06 0.19 0.00 -1.84 0.00 0.00 35.03 32.75 2ewi n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ewi s SER 61 N -1.18 2.46 0.00 4.39 1.04 -1.26 -4.90 113.70 114.25 2ewi s SER 61 Ca 0.04 0.54 0.11 0.00 0.48 0.00 0.00 55.95 57.12 2ewi s SER 61 Cb 0.03 -0.76 0.57 0.00 0.10 0.00 0.00 66.02 65.96 2ewi s SER 61 CO 0.01 -3.16 1.24 0.00 0.98 0.00 0.00 173.24 172.30 2ewi n ALA 62 N -4.10 1.70 1.02 5.32 0.00 -1.26 -1.67 120.51 121.51 2ewi n ALA 62 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2ewi n ALA 62 Cb 0.59 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 2ewi n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ewi n LYS 63 N -1.26 0.34 -2.30 0.00 5.02 -1.26 -4.42 118.16 114.28 2ewi n LYS 63 Ca 0.06 -0.27 -0.43 0.00 -2.02 0.00 0.00 58.31 55.65 2ewi n LYS 63 Cb 0.08 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2ewi n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ewi s GLY 64 N -2.85 1.25 0.01 0.72 0.00 -0.67 -0.81 107.32 104.97 2ewi s GLY 64 Ca 0.12 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.74 2ewi s GLY 64 CO 0.76 2.77 1.39 -1.82 0.00 0.00 0.00 173.10 176.20 2ewi h TYR 65 N 10.17 -0.04 -0.37 1.90 5.03 -1.50 -2.18 116.97 129.98 2ewi h TYR 65 Ca -0.29 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.08 2ewi h TYR 65 Cb 1.12 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.36 2ewi h TYR 65 CO 0.91 0.30 0.07 -0.92 -1.32 0.00 0.00 178.16 177.20 2ewi h TYR 66 N -0.39 0.11 -0.76 -3.82 5.03 -1.86 -2.27 116.97 113.01 2ewi h TYR 66 Ca -0.00 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.45 2ewi h TYR 66 Cb 0.36 0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.56 2ewi h TYR 66 CO 0.04 0.01 0.35 1.25 -1.32 0.00 0.00 178.16 178.49 2ewi h HIS 67 N 0.19 0.62 0.00 -3.82 2.76 -1.72 -1.50 115.15 111.68 2ewi h HIS 67 Ca 0.18 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2ewi h HIS 67 Cb 0.21 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2ewi h HIS 67 CO -0.20 0.16 -0.11 0.00 -1.30 0.00 0.00 177.93 176.48 2ewi h ALA 68 N 1.50 1.13 0.00 5.26 0.00 -0.80 -2.13 119.26 124.21 2ewi h ALA 68 Ca 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2ewi h ALA 68 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ewi h ALA 68 CO -0.34 0.14 -1.86 -1.33 0.00 0.00 0.00 179.25 175.86 2ewi n MET 69 N -3.41 0.65 0.00 0.00 2.81 -0.66 -4.30 117.12 112.21 2ewi n MET 69 Ca -0.01 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2ewi n MET 69 Cb 0.28 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2ewi n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2ewi n HIS 70 N -2.34 0.00 -3.32 2.03 -0.00 -0.66 -1.88 115.22 109.04 2ewi n HIS 70 Ca -0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.43 2ewi n HIS 70 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.57 2ewi n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ewi s ASP 71 N -2.33 6.31 0.40 0.41 1.01 -0.82 -4.31 116.67 117.36 2ewi s ASP 71 Ca 0.00 0.52 0.04 0.00 0.71 0.00 0.00 52.55 53.82 2ewi s ASP 71 Cb 0.00 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 2ewi s ASP 71 CO 0.00 -0.30 0.58 -0.54 0.21 0.00 0.00 175.17 175.13 2ewi s LYS 72 N -4.22 3.02 -0.66 8.23 1.02 -1.26 -4.28 119.74 121.59 2ewi s LYS 72 Ca 0.41 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2ewi s LYS 72 Cb -0.10 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2ewi s LYS 72 CO 0.36 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 2ewi n GLY 73 N -1.89 0.86 3.91 -3.33 0.00 -1.26 -5.01 105.19 98.47 2ewi n GLY 73 Ca 0.02 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2ewi n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ewi s THR 74 N -2.18 4.96 0.35 2.61 -4.23 -1.26 -4.99 115.64 110.89 2ewi s THR 74 Ca 0.00 0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.66 2ewi s THR 74 Cb 0.00 -3.81 0.19 0.00 1.34 0.00 0.00 72.50 70.22 2ewi s THR 74 CO 0.00 -0.60 1.93 0.50 -0.54 0.00 0.00 174.62 175.91 2ewi h LYS 75 N 0.88 0.57 -6.40 3.99 3.64 -1.98 -3.38 116.57 113.88 2ewi h LYS 75 Ca -0.48 -0.09 -0.69 0.00 -1.27 0.00 0.00 60.65 58.12 2ewi h LYS 75 Cb 1.20 -0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 32.69 2ewi h LYS 75 CO 0.63 0.52 -0.79 -0.06 -2.27 0.00 0.00 179.45 177.48 2ewi s PHE 76 N -5.17 2.64 0.27 1.91 0.08 -1.26 -5.10 117.98 111.35 2ewi s PHE 76 Ca -0.08 -0.20 -0.30 0.00 0.12 0.00 0.00 56.93 56.47 2ewi s PHE 76 Cb 0.16 -1.58 -0.10 0.00 -0.57 0.00 0.00 43.02 40.93 2ewi s PHE 76 CO 0.76 0.18 1.40 0.15 -0.10 0.00 0.00 175.22 177.61 2ewi s LYS 77 N -0.88 4.29 0.76 0.44 1.02 -1.26 -5.00 119.74 119.11 2ewi s LYS 77 Ca 0.12 2.27 -0.10 0.00 0.02 0.00 0.00 55.97 58.28 2ewi s LYS 77 Cb -0.11 -3.10 0.07 0.00 -0.52 0.00 0.00 37.83 34.17 2ewi s LYS 77 CO 0.02 -0.36 1.11 -1.54 -0.92 0.00 0.00 175.35 173.65 2ewi s SER 78 N 0.17 4.70 0.15 2.83 1.04 -1.26 -4.79 113.70 116.54 2ewi s SER 78 Ca 0.57 0.69 -0.25 0.00 0.48 0.00 0.00 55.95 57.44 2ewi s SER 78 Cb -0.41 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2ewi s SER 78 CO 0.45 -1.74 1.60 0.00 0.98 0.00 0.00 173.24 174.54 2ewi h VAL 80 N -0.35 1.29 -0.31 0.00 2.07 -1.62 -1.71 116.25 115.61 2ewi h VAL 80 Ca 0.12 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.18 2ewi h VAL 80 Cb 0.55 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2ewi h VAL 80 CO -0.43 0.49 0.12 1.23 0.02 0.00 0.00 177.57 179.00 2ewi h GLY 81 N 0.60 0.40 0.97 2.17 0.00 -1.66 0.12 103.07 105.67 2ewi h GLY 81 Ca 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2ewi h GLY 81 CO 0.08 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.67 2ewi h HIS 83 N 0.60 0.52 -0.66 0.00 3.86 -0.80 -1.16 115.15 117.51 2ewi h HIS 83 Ca 0.12 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 2ewi h HIS 83 Cb 0.48 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2ewi h HIS 83 CO 0.04 0.34 0.19 -0.07 0.86 0.00 0.00 177.93 179.29 2ewi h LEU 84 N 0.56 0.97 -0.73 2.43 3.38 -0.63 0.12 115.31 121.40 2ewi h LEU 84 Ca 0.15 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2ewi h LEU 84 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2ewi h LEU 84 CO -0.03 0.93 0.13 -0.33 0.09 0.00 0.00 178.44 179.23 2ewi h GLU 85 N 0.96 1.10 -0.34 1.13 5.08 -1.29 -2.23 114.58 118.99 2ewi h GLU 85 Ca 0.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2ewi h GLU 85 Cb 0.32 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2ewi h GLU 85 CO -0.00 0.99 0.14 1.15 -1.00 0.00 0.00 179.01 180.29 2ewi h THR 86 N 1.03 1.18 -0.04 1.13 2.02 -0.78 -2.95 112.91 114.51 2ewi h THR 86 Ca 0.21 -0.55 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 2ewi h THR 86 Cb 0.41 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2ewi h THR 86 CO 0.01 0.20 -0.42 0.00 0.37 0.00 0.00 175.52 175.68 2ewi h ALA 87 N 0.98 1.22 -0.95 6.16 0.00 -0.91 -3.48 119.26 122.29 2ewi h ALA 87 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ewi h ALA 87 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ewi h ALA 87 CO -0.01 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2ewi n GLY 88 N -0.26 3.43 0.63 0.00 0.00 -0.85 -1.72 105.19 106.42 2ewi n GLY 88 Ca -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2ewi n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ewi n ALA 89 N 11.10 2.51 -2.63 4.61 0.00 -1.26 -4.85 120.51 129.99 2ewi n ALA 89 Ca 0.00 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 2ewi n ALA 89 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 2ewi n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ewi s ASP 90 N -1.55 6.37 0.37 0.00 3.68 -0.70 -4.90 116.67 119.95 2ewi s ASP 90 Ca 0.33 -0.22 0.07 0.00 2.13 0.00 0.00 52.55 54.86 2ewi s ASP 90 Cb 0.18 -2.46 0.74 0.00 -1.45 0.00 0.00 42.92 39.92 2ewi s ASP 90 CO 0.27 -1.28 1.93 0.00 0.13 0.00 0.00 175.17 176.22 2ewi h ALA 91 N 9.35 1.50 -0.27 3.66 0.00 -1.88 0.54 119.26 132.17 2ewi h ALA 91 Ca -0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2ewi h ALA 91 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ewi h ALA 91 CO 1.11 0.36 0.09 0.00 0.00 0.00 0.00 179.25 180.81 2ewi h ALA 92 N 1.61 0.35 -0.14 0.00 0.00 -1.96 -0.97 119.26 118.15 2ewi h ALA 92 Ca 0.09 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2ewi h ALA 92 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ewi h ALA 92 CO 0.01 -0.04 -0.30 0.87 0.00 0.00 0.00 179.25 179.78 2ewi h LYS 93 N 0.27 0.27 -0.55 0.00 1.79 -1.76 -1.41 116.57 115.17 2ewi h LYS 93 Ca 0.09 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2ewi h LYS 93 Cb 0.21 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 2ewi h LYS 93 CO -0.00 0.55 0.30 0.87 -1.08 0.00 0.00 179.45 180.09 2ewi h LYS 94 N 0.24 0.77 -0.26 3.15 1.57 -0.54 0.54 116.57 122.04 2ewi h LYS 94 Ca 0.03 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2ewi h LYS 94 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2ewi h LYS 94 CO 0.05 0.60 0.07 -0.22 -0.57 0.00 0.00 179.45 179.37 2ewi h LYS 95 N 0.74 0.42 -0.66 3.15 1.63 -0.90 0.18 116.57 121.14 2ewi h LYS 95 Ca 0.19 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2ewi h LYS 95 Cb 0.05 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2ewi h LYS 95 CO -0.03 0.51 0.37 1.49 -3.45 0.00 0.00 179.45 178.34 2ewi h GLU 96 N 0.26 0.92 0.00 1.90 4.81 -1.05 -2.16 114.58 119.26 2ewi h GLU 96 Ca 0.08 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ewi h GLU 96 Cb 0.28 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2ewi h GLU 96 CO 0.00 0.69 -1.83 1.28 -0.73 0.00 0.00 179.01 178.42 2ewi n LEU 97 N -4.53 0.06 0.00 1.64 4.77 0.16 -0.24 117.00 118.86 2ewi n LEU 97 Ca 0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2ewi n LEU 97 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2ewi n LEU 97 CO 0.37 0.01 0.04 0.35 -1.33 0.00 0.00 177.39 176.83 2ewi n THR 98 N -2.13 0.00 -1.98 -5.08 -2.24 0.58 -4.85 114.28 98.58 2ewi n THR 98 Ca -0.03 -0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.11 2ewi n THR 98 Cb 0.50 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.89 2ewi n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ewi s GLY 99 N -0.35 2.89 0.46 3.38 0.00 -0.81 -4.91 107.32 107.98 2ewi s GLY 99 Ca 0.00 1.25 0.26 0.00 0.00 0.00 0.00 44.72 46.23 2ewi s GLY 99 CO 0.00 1.80 1.70 0.00 0.00 0.00 0.00 173.10 176.61 2ewi s LYS 101 N -3.31 0.74 -1.74 0.00 -2.85 -1.26 -4.76 119.74 106.56 2ewi s LYS 101 Ca 0.06 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 2ewi s LYS 101 Cb 0.06 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2ewi s LYS 101 CO 0.64 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 176.30 2ewi n GLY 102 N 0.07 -0.17 3.33 0.59 0.00 -0.29 -4.95 105.19 103.76 2ewi n GLY 102 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2ewi n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ewi n SER 103 N -1.88 2.54 0.11 1.61 3.41 -0.15 -4.76 113.62 114.50 2ewi n SER 103 Ca -0.23 -2.66 0.12 0.00 -0.26 0.00 0.00 58.87 55.85 2ewi n SER 103 Cb 0.67 -0.03 0.46 0.00 -0.26 0.00 0.00 64.21 65.05 2ewi n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ewi n LYS 104 N -1.62 0.20 -0.10 4.33 4.76 0.66 -3.40 118.16 122.99 2ewi n LYS 104 Ca -0.02 0.33 -0.21 0.00 -2.87 0.00 0.00 58.31 55.54 2ewi n LYS 104 Cb 0.55 -1.82 -0.11 0.00 -1.84 0.00 0.00 35.03 31.81 2ewi n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ewi s HIS 106 N -2.35 2.49 -2.00 0.00 3.76 -1.22 -4.61 115.29 111.36 2ewi s HIS 106 Ca -0.28 -1.21 0.04 0.00 -0.15 0.00 0.00 55.06 53.46 2ewi s HIS 106 Cb 0.05 -1.71 0.23 0.00 1.11 0.00 0.00 32.58 32.27 2ewi s HIS 106 CO 0.57 -0.56 0.71 -1.13 -0.85 0.00 0.00 174.74 173.48