#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3w n ALA 9 N 0.00 2.27 -0.10 -1.67 0.00 -1.26 -4.90 120.51 114.85 2c3w n ALA 9 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2c3w n ALA 9 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2c3w n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c3w n THR 10 N 0.14 0.00 -1.53 0.00 -2.24 -1.26 -3.42 114.28 105.97 2c3w n THR 10 Ca 0.03 0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 2c3w n THR 10 Cb 0.40 -1.05 0.08 0.00 -2.10 0.00 0.00 70.33 67.67 2c3w n THR 10 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c3w s ASP 11 N -4.28 4.38 -0.43 3.42 -0.00 -1.20 -4.37 116.67 114.18 2c3w s ASP 11 Ca 0.00 2.34 -0.11 0.00 -0.00 0.00 0.00 52.55 54.79 2c3w s ASP 11 Cb 0.00 -2.59 0.08 0.00 -0.00 0.00 0.00 42.92 40.41 2c3w s ASP 11 CO 0.00 -2.14 0.30 -0.63 -0.00 0.00 0.00 175.17 172.70 2c3w s ILE 12 N -1.95 4.45 -0.14 0.77 1.01 -0.06 -0.91 121.20 124.37 2c3w s ILE 12 Ca 0.74 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 2c3w s ILE 12 Cb -0.29 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2c3w s ILE 12 CO 0.44 -0.54 0.05 -0.89 0.00 0.00 0.00 174.94 173.99 2c3w s THR 13 N 1.47 4.69 -0.06 2.92 2.01 -0.26 -0.27 115.64 126.14 2c3w s THR 13 Ca 0.03 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2c3w s THR 13 Cb -0.24 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2c3w s THR 13 CO 0.03 0.54 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.83 2c3w s ILE 14 N -0.26 0.51 -0.16 1.82 1.01 -0.07 -1.65 121.20 122.40 2c3w s ILE 14 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 2c3w s ILE 14 Cb -0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2c3w s ILE 14 CO 0.02 0.24 0.11 -0.31 0.00 0.00 0.00 174.94 175.00 2c3w s TYR 15 N 1.31 3.44 -0.07 3.97 2.02 -0.32 -1.72 117.35 125.97 2c3w s TYR 15 Ca -0.05 0.35 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 2c3w s TYR 15 Cb -0.14 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2c3w s TYR 15 CO -0.02 0.44 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.83 2c3w s TYR 16 N -0.23 1.34 -0.32 2.71 5.04 0.46 -0.60 117.35 125.75 2c3w s TYR 16 Ca 0.10 -0.51 -0.26 0.00 -2.44 0.00 0.00 57.07 53.96 2c3w s TYR 16 Cb -0.12 -1.03 0.01 0.00 0.35 0.00 0.00 41.96 41.18 2c3w s TYR 16 CO 0.01 -0.30 0.92 0.21 -1.34 0.00 0.00 175.55 175.05 2c3w s LYS 17 N 0.90 3.99 -0.11 4.97 2.20 -0.17 -1.04 119.74 130.48 2c3w s LYS 17 Ca -0.10 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 2c3w s LYS 17 Cb -0.15 -3.74 0.07 0.00 -1.51 0.00 0.00 37.83 32.50 2c3w s LYS 17 CO 0.01 -0.80 0.72 -0.08 -0.36 0.00 0.00 175.35 174.83 2c3w s THR 18 N 3.30 0.00 -2.69 3.43 -1.32 -0.72 -4.75 115.64 112.90 2c3w s THR 18 Ca 0.38 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.09 2c3w s THR 18 Cb -0.13 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.10 2c3w s THR 18 CO 0.14 0.00 1.26 0.61 -2.21 0.00 0.00 174.62 174.42 2c3w n GLY 19 N 1.29 1.09 3.65 6.08 0.00 -1.26 -4.49 105.19 111.55 2c3w n GLY 19 Ca -0.17 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 2c3w n GLY 19 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2c3w n TRP 20 N 1.31 1.88 -0.20 1.61 8.01 -1.26 -4.91 117.44 123.88 2c3w n TRP 20 Ca 0.15 0.58 -0.09 0.00 -1.31 0.00 0.00 57.50 56.83 2c3w n TRP 20 Cb 0.57 -2.37 0.02 0.00 -2.01 0.00 0.00 31.31 27.53 2c3w n TRP 20 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 2c3w h THR 21 N 2.50 1.25 -2.13 -0.99 2.02 -1.94 -3.36 112.91 110.25 2c3w h THR 21 Ca -0.44 -0.94 -0.53 0.00 0.77 0.00 0.00 66.41 65.27 2c3w h THR 21 Cb 1.30 0.76 -0.41 0.00 -1.74 0.00 0.00 68.15 68.07 2c3w h THR 21 CO 0.65 0.34 -0.94 1.41 0.37 0.00 0.00 175.52 177.36 2c3w n HIS 22 N -4.36 1.91 -2.33 3.16 8.25 -1.26 -5.10 115.22 115.50 2c3w n HIS 22 Ca 0.03 -3.90 -0.38 0.00 -0.26 0.00 0.00 57.72 53.21 2c3w n HIS 22 Cb 0.26 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 2c3w n HIS 22 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2c3w s PRO 23 N -2.82 4.07 0.06 -0.41 0.04 -1.26 -2.81 135.00 131.87 2c3w s PRO 23 Ca 0.44 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2c3w s PRO 23 Cb 0.31 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2c3w s PRO 23 CO -0.10 -0.29 -0.10 -1.01 0.04 0.00 0.00 177.00 175.53 2c3w s HIS 24 N -1.45 0.90 -0.18 0.56 3.76 0.18 -1.12 115.29 117.94 2c3w s HIS 24 Ca 0.57 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2c3w s HIS 24 Cb -0.29 -0.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.86 2c3w s HIS 24 CO 0.37 -0.03 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.65 2c3w s ILE 25 N -1.50 3.32 -0.22 0.60 2.07 0.87 -1.50 121.20 124.84 2c3w s ILE 25 Ca -0.05 -0.54 -0.05 0.00 -1.41 0.00 0.00 60.65 58.60 2c3w s ILE 25 Cb -0.09 -2.46 -0.02 0.00 0.13 0.00 0.00 42.46 40.02 2c3w s ILE 25 CO 0.01 0.47 0.01 -2.28 -1.91 0.00 0.00 174.94 171.24 2c3w s HIS 26 N 0.89 3.03 0.11 3.50 5.65 0.15 -0.55 115.29 128.07 2c3w s HIS 26 Ca -0.02 -0.55 -0.11 0.00 0.25 0.00 0.00 55.06 54.64 2c3w s HIS 26 Cb -0.15 -2.13 0.01 0.00 -1.18 0.00 0.00 32.58 29.13 2c3w s HIS 26 CO 0.01 -0.34 0.26 1.52 -0.65 0.00 0.00 174.74 175.54 2c3w s TYR 27 N 1.27 0.08 -0.17 3.88 -0.85 -1.26 -0.98 117.35 119.33 2c3w s TYR 27 Ca 0.04 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.12 2c3w s TYR 27 Cb -0.15 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.24 2c3w s TYR 27 CO 0.01 -0.61 -0.20 0.45 -1.52 0.00 0.00 175.55 173.68 2c3w s SER 28 N -2.86 3.20 -0.18 -0.18 0.15 -0.67 -1.31 113.70 111.85 2c3w s SER 28 Ca 0.06 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 55.95 2c3w s SER 28 Cb 0.04 -1.48 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 2c3w s SER 28 CO -0.10 0.03 0.32 -0.22 1.20 0.00 0.00 173.24 174.48 2c3w s LEU 29 N 1.09 4.20 -1.55 3.45 2.96 -1.26 -1.58 118.68 125.99 2c3w s LEU 29 Ca -0.00 0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 2c3w s LEU 29 Cb -0.14 -2.40 0.06 0.00 0.50 0.00 0.00 46.19 44.20 2c3w s LEU 29 CO -0.08 0.03 0.43 0.59 -1.32 0.00 0.00 176.35 175.99 2c3w n ASN 30 N 4.00 -0.88 -1.05 3.68 3.02 0.50 -0.81 115.26 123.72 2c3w n ASN 30 Ca -0.11 -1.09 -0.14 0.00 -0.03 0.00 0.00 54.58 53.22 2c3w n ASN 30 Cb 0.52 -2.54 -0.06 0.00 -0.61 0.00 0.00 39.78 37.09 2c3w n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3w n GLN 31 N -4.42 -1.28 -1.20 3.52 1.13 -1.26 -5.01 117.38 108.86 2c3w n GLN 31 Ca -0.19 0.97 -0.25 0.00 -1.94 0.00 0.00 57.00 55.58 2c3w n GLN 31 Cb 0.62 -5.19 0.20 0.00 0.11 0.00 0.00 30.24 25.98 2c3w n GLN 31 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2c3w n GLY 32 N -0.64 -2.18 3.68 1.08 0.00 0.01 -5.01 105.19 102.14 2c3w n GLY 32 Ca -0.14 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2c3w n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3w n ALA 33 N -4.23 1.11 -1.68 4.61 0.00 -1.26 -4.51 120.51 114.55 2c3w n ALA 33 Ca -0.18 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 2c3w n ALA 33 Cb 0.50 -2.23 0.01 0.00 0.00 0.00 0.00 19.45 17.73 2c3w n ALA 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2c3w s TRP 34 N -0.99 2.93 0.78 0.00 0.52 -1.26 -4.51 118.94 116.40 2c3w s TRP 34 Ca 0.57 1.53 -0.15 0.00 0.02 0.00 0.00 56.10 58.07 2c3w s TRP 34 Cb -0.59 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 28.68 2c3w s TRP 34 CO 0.61 -1.17 0.74 0.25 0.02 0.00 0.00 176.95 177.40 2c3w n THR 35 N -1.87 1.75 -2.25 2.01 -2.24 -0.43 -4.95 114.28 106.30 2c3w n THR 35 Ca 0.09 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 2c3w n THR 35 Cb 0.53 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 2c3w n THR 35 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2c3w s THR 36 N -2.02 3.40 0.60 4.28 2.01 -1.26 -4.83 115.64 117.83 2c3w s THR 36 Ca 0.67 1.09 -0.19 0.00 0.31 0.00 0.00 61.69 63.57 2c3w s THR 36 Cb -0.31 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2c3w s THR 36 CO 0.56 0.13 1.23 0.18 -0.69 0.00 0.00 174.62 176.04 2c3w n LEU 37 N 3.20 5.30 -0.23 4.42 4.77 -1.26 -1.17 117.00 132.02 2c3w n LEU 37 Ca 0.08 0.87 0.03 0.00 -0.03 0.00 0.00 56.01 56.96 2c3w n LEU 37 Cb 0.43 -1.52 0.11 0.00 -2.33 0.00 0.00 43.42 40.11 2c3w n LEU 37 CO 0.57 -1.07 0.58 -0.81 -1.33 0.00 0.00 177.39 175.33 2c3w n PRO 38 N -1.39 1.30 0.00 3.23 -0.04 -1.26 -5.08 135.00 131.75 2c3w n PRO 38 Ca 0.14 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2c3w n PRO 38 Cb 0.47 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2c3w n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3w n GLY 39 N 0.73 -0.99 3.71 0.55 0.00 -0.32 -4.23 105.19 104.64 2c3w n GLY 39 Ca 0.05 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 2c3w n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3w s VAL 40 N 0.00 5.05 0.34 1.61 1.01 0.29 -4.79 120.40 123.90 2c3w s VAL 40 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 2c3w s VAL 40 Cb 0.00 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 2c3w s VAL 40 CO 0.00 0.24 1.42 -2.84 0.00 0.00 0.00 175.10 173.93 2c3w s PRO 41 N 0.87 4.22 0.09 2.72 0.02 -1.26 -0.09 135.00 141.56 2c3w s PRO 41 Ca 0.37 2.41 -0.17 0.00 0.02 0.00 0.00 61.00 63.63 2c3w s PRO 41 Cb -0.17 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 2c3w s PRO 41 CO 0.17 -0.40 0.54 -0.51 -0.33 0.00 0.00 177.00 176.47 2c3w s LEU 42 N -1.65 4.45 0.28 -5.54 1.43 -0.28 -4.84 118.68 112.52 2c3w s LEU 42 Ca 0.53 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.84 2c3w s LEU 42 Cb -0.44 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2c3w s LEU 42 CO 0.56 0.22 0.31 0.42 0.23 0.00 0.00 176.35 178.09 2c3w s THR 43 N -1.23 4.50 0.13 5.49 -4.23 -0.89 -4.69 115.64 114.73 2c3w s THR 43 Ca 0.31 -1.19 -0.35 0.00 -1.18 0.00 0.00 61.69 59.28 2c3w s THR 43 Cb -0.17 -3.52 -0.15 0.00 1.34 0.00 0.00 72.50 70.00 2c3w s THR 43 CO 0.18 -0.28 1.50 1.17 -0.54 0.00 0.00 174.62 176.65 2c3w n LYS 44 N -1.37 1.82 -2.02 3.99 4.81 -1.26 -0.80 118.16 123.33 2c3w n LYS 44 Ca -0.06 0.65 -0.20 0.00 -0.87 0.00 0.00 58.31 57.84 2c3w n LYS 44 Cb 0.58 -2.38 0.11 0.00 0.02 0.00 0.00 35.03 33.36 2c3w n LYS 44 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2c3w n SER 45 N 3.15 0.83 0.00 3.14 3.41 -0.72 -4.66 113.62 118.76 2c3w n SER 45 Ca 0.17 -1.78 0.12 0.00 -0.26 0.00 0.00 58.87 57.13 2c3w n SER 45 Cb 0.25 -0.60 0.68 0.00 -0.26 0.00 0.00 64.21 64.28 2c3w n SER 45 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2c3w n GLU 46 N -2.70 0.55 -5.20 4.33 0.00 -1.26 -4.72 120.64 111.65 2c3w n GLU 46 Ca 0.13 0.03 -0.32 0.00 0.00 0.00 0.00 57.16 57.00 2c3w n GLU 46 Cb 0.47 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 30.25 2c3w n GLU 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2c3w s TYR 47 N -2.31 2.55 0.36 -1.84 2.02 -1.26 -5.11 117.35 111.76 2c3w s TYR 47 Ca 0.30 -0.94 -0.28 0.00 -0.37 0.00 0.00 57.07 55.78 2c3w s TYR 47 Cb 0.17 -1.69 -0.11 0.00 -0.40 0.00 0.00 41.96 39.93 2c3w s TYR 47 CO 0.34 -0.35 1.49 -2.00 -1.57 0.00 0.00 175.55 173.46 2c3w s GLU 48 N 0.21 4.12 0.00 -0.62 2.12 -1.26 -2.18 118.70 121.09 2c3w s GLU 48 Ca -0.14 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.74 2c3w s GLU 48 Cb -0.17 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2c3w s GLU 48 CO 0.07 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 2c3w n GLY 49 N 0.74 0.89 3.19 -1.50 0.00 -1.26 -5.01 105.19 102.23 2c3w n GLY 49 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2c3w n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c3w s TYR 50 N -3.62 2.00 0.32 1.61 1.51 -0.93 -1.76 117.35 116.49 2c3w s TYR 50 Ca 0.00 -0.58 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 2c3w s TYR 50 Cb 0.00 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 2c3w s TYR 50 CO 0.00 -0.19 0.28 0.14 -1.11 0.00 0.00 175.55 174.67 2c3w s VAL 51 N -0.05 3.65 0.11 0.71 -7.23 -0.21 -1.76 120.40 115.62 2c3w s VAL 51 Ca -0.04 -1.38 -0.08 0.00 -1.81 0.00 0.00 61.98 58.68 2c3w s VAL 51 Cb -0.12 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 2c3w s VAL 51 CO 0.03 -0.20 0.19 -1.59 -0.31 0.00 0.00 175.10 173.22 2c3w s LYS 52 N -3.97 0.91 -0.05 4.82 -2.85 0.02 -0.40 119.74 118.21 2c3w s LYS 52 Ca 0.40 -1.05 -0.19 0.00 -1.00 0.00 0.00 55.97 54.13 2c3w s LYS 52 Cb -0.06 0.34 0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2c3w s LYS 52 CO 0.26 -0.29 0.43 0.54 0.10 0.00 0.00 175.35 176.39 2c3w s VAL 53 N -3.90 0.03 -0.21 1.79 0.11 -0.70 -2.09 120.40 115.43 2c3w s VAL 53 Ca 0.09 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 2c3w s VAL 53 Cb 0.05 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2c3w s VAL 53 CO -0.08 -0.14 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.52 2c3w s THR 54 N -0.99 2.35 -0.32 5.04 2.01 -1.26 -0.90 115.64 121.58 2c3w s THR 54 Ca -0.10 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 2c3w s THR 54 Cb -0.03 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2c3w s THR 54 CO 0.05 0.36 0.33 -0.63 -0.69 0.00 0.00 174.62 174.04 2c3w s ILE 55 N 1.28 5.20 -0.07 1.82 -1.09 0.63 -4.96 121.20 124.01 2c3w s ILE 55 Ca 0.01 0.15 -0.34 0.00 -2.23 0.00 0.00 60.65 58.24 2c3w s ILE 55 Cb -0.15 -3.75 -0.12 0.00 -1.58 0.00 0.00 42.46 36.86 2c3w s ILE 55 CO -0.09 0.02 1.84 1.21 -1.23 0.00 0.00 174.94 176.69 2c3w n GLU 56 N 5.30 2.12 -3.75 2.79 2.13 -1.26 -0.88 120.64 127.09 2c3w n GLU 56 Ca -0.10 0.78 -0.10 0.00 0.66 0.00 0.00 57.16 58.40 2c3w n GLU 56 Cb 0.50 -2.61 -0.06 0.00 0.27 0.00 0.00 31.44 29.54 2c3w n GLU 56 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2c3w s ALA 57 N 3.69 -0.59 0.51 4.31 0.00 -1.26 -4.88 121.76 123.53 2c3w s ALA 57 Ca 0.91 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 2c3w s ALA 57 Cb -0.71 0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2c3w s ALA 57 CO 0.51 -0.53 0.75 -1.21 0.00 0.00 0.00 175.76 175.28 2c3w s GLU 58 N -3.51 2.94 0.15 0.00 2.02 -1.26 -3.24 118.70 115.79 2c3w s GLU 58 Ca 0.02 -0.38 -0.32 0.00 0.02 0.00 0.00 54.97 54.30 2c3w s GLU 58 Cb 0.02 -2.46 -0.17 0.00 0.10 0.00 0.00 34.13 31.62 2c3w s GLU 58 CO -0.09 -0.46 0.80 -1.91 0.02 0.00 0.00 175.26 173.61 2c3w n GLU 59 N -2.27 0.26 -1.96 1.61 2.13 -1.26 -2.51 120.64 116.64 2c3w n GLU 59 Ca 0.03 0.09 -0.13 0.00 0.66 0.00 0.00 57.16 57.81 2c3w n GLU 59 Cb 0.58 -1.33 -0.02 0.00 0.27 0.00 0.00 31.44 30.94 2c3w n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3w n GLY 60 N 1.81 0.35 3.89 8.31 0.00 -1.22 -5.01 105.19 113.32 2c3w n GLY 60 Ca 0.18 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2c3w n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3w s SER 61 N -2.55 5.59 0.02 1.61 0.01 -1.05 -4.91 113.70 112.42 2c3w s SER 61 Ca 0.00 1.08 -0.11 0.00 1.31 0.00 0.00 55.95 58.23 2c3w s SER 61 Cb 0.00 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.28 2c3w s SER 61 CO 0.00 -1.21 0.22 -1.58 0.41 0.00 0.00 173.24 171.08 2c3w s GLN 62 N -5.25 0.65 0.09 12.44 0.74 -1.26 -1.53 119.66 125.54 2c3w s GLN 62 Ca 0.57 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.54 2c3w s GLN 62 Cb -0.11 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 2c3w s GLN 62 CO 0.50 -0.18 -0.09 -0.48 -0.55 0.00 0.00 175.29 174.50 2c3w s LEU 63 N -1.74 2.42 -0.13 3.68 0.05 -0.12 -0.37 118.68 122.47 2c3w s LEU 63 Ca -0.09 -0.85 -0.01 0.00 0.05 0.00 0.00 54.13 53.23 2c3w s LEU 63 Cb -0.04 -0.23 -0.02 0.00 -2.05 0.00 0.00 46.19 43.86 2c3w s LEU 63 CO -0.01 -0.31 -0.11 -0.13 -0.55 0.00 0.00 176.35 175.24 2c3w s ARG 64 N -2.99 3.36 0.02 1.48 0.52 -0.61 -1.51 118.95 119.21 2c3w s ARG 64 Ca 0.06 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2c3w s ARG 64 Cb -0.01 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 2c3w s ARG 64 CO -0.01 0.28 -0.05 0.00 0.02 0.00 0.00 175.30 175.53 2c3w s ALA 65 N 0.21 0.35 -0.02 2.13 0.00 0.47 -1.67 121.76 123.22 2c3w s ALA 65 Ca -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2c3w s ALA 65 Cb -0.15 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2c3w s ALA 65 CO 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 175.76 175.72 2c3w s ALA 66 N -0.90 0.67 0.05 0.00 0.00 -0.15 -0.54 121.76 120.89 2c3w s ALA 66 Ca -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 2c3w s ALA 66 Cb -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2c3w s ALA 66 CO -0.00 0.09 0.18 -0.06 0.00 0.00 0.00 175.76 175.98 2c3w s PHE 67 N 0.28 3.48 0.16 0.00 0.08 -0.65 -0.68 117.98 120.65 2c3w s PHE 67 Ca -0.04 0.25 -0.10 0.00 0.12 0.00 0.00 56.93 57.16 2c3w s PHE 67 Cb -0.08 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2c3w s PHE 67 CO 0.00 0.59 0.30 0.54 -0.10 0.00 0.00 175.22 176.55 2c3w s ASN 68 N -2.37 0.01 -0.06 1.36 4.22 -0.57 -0.01 114.94 117.53 2c3w s ASN 68 Ca 0.33 -0.81 0.10 0.00 -2.14 0.00 0.00 52.86 50.34 2c3w s ASN 68 Cb -0.13 0.44 0.40 0.00 1.28 0.00 0.00 41.25 43.25 2c3w s ASN 68 CO 0.25 -0.90 1.25 -0.46 -2.04 0.00 0.00 177.10 175.20 2c3w n ASN 69 N -0.22 2.82 0.00 3.54 2.04 0.30 -0.65 115.26 123.09 2c3w n ASN 69 Ca -0.08 -2.23 0.00 0.00 -0.44 0.00 0.00 54.58 51.83 2c3w n ASN 69 Cb 0.63 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.46 2c3w n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2c3w n GLY 70 N 0.79 2.93 1.07 4.83 0.00 -1.13 -4.29 105.19 109.40 2c3w n GLY 70 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 2c3w n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c3w n SER 71 N 0.00 1.05 0.00 1.61 7.64 -1.26 -4.97 113.62 117.68 2c3w n SER 71 Ca 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.45 2c3w n SER 71 Cb 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2c3w n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3w n GLY 72 N -0.01 0.23 3.71 0.23 0.00 -1.26 -5.07 105.19 103.02 2c3w n GLY 72 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2c3w n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c3w s GLN 73 N -0.94 4.34 0.22 1.61 0.74 -1.26 -4.97 119.66 119.39 2c3w s GLN 73 Ca 0.00 0.50 0.09 0.00 0.05 0.00 0.00 55.36 56.00 2c3w s GLN 73 Cb 0.00 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 2c3w s GLN 73 CO 0.00 0.11 -0.06 -1.58 -0.55 0.00 0.00 175.29 173.21 2c3w s TRP 74 N 0.76 2.64 -0.36 1.67 0.52 -1.26 -0.54 118.94 122.37 2c3w s TRP 74 Ca 0.27 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.17 2c3w s TRP 74 Cb -0.15 -1.24 0.11 0.00 -1.15 0.00 0.00 33.47 31.04 2c3w s TRP 74 CO 0.11 0.57 0.15 0.34 0.02 0.00 0.00 176.95 178.14 2c3w s ASP 75 N -3.18 3.90 -0.21 2.95 2.15 0.99 -4.96 116.67 118.31 2c3w s ASP 75 Ca 0.28 -2.06 0.13 0.00 0.43 0.00 0.00 52.55 51.33 2c3w s ASP 75 Cb -0.08 -0.96 0.43 0.00 -0.30 0.00 0.00 42.92 42.01 2c3w s ASP 75 CO 0.17 -0.35 1.31 -0.46 -0.17 0.00 0.00 175.17 175.67 2c3w n ASN 76 N 4.29 2.49 -3.38 -0.34 0.23 -1.26 -1.64 115.26 115.66 2c3w n ASN 76 Ca 0.03 -3.50 -0.18 0.00 -0.53 0.00 0.00 54.58 50.40 2c3w n ASN 76 Cb 0.39 -0.54 0.07 0.00 -2.08 0.00 0.00 39.78 37.62 2c3w n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2c3w n ASN 77 N -1.09 -5.05 -3.80 0.53 5.15 -1.26 -0.67 115.26 109.06 2c3w n ASN 77 Ca 0.23 -0.73 -0.29 0.00 -0.60 0.00 0.00 54.58 53.19 2c3w n ASN 77 Cb 0.82 -4.89 0.03 0.00 -0.53 0.00 0.00 39.78 35.21 2c3w n ASN 77 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2c3w n GLN 78 N -3.62 -5.80 -0.91 1.20 1.13 -1.26 -1.44 117.38 106.68 2c3w n GLN 78 Ca -0.14 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 2c3w n GLN 78 Cb 0.63 -5.55 0.00 0.00 0.11 0.00 0.00 30.24 25.43 2c3w n GLN 78 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2c3w n GLY 79 N -1.71 0.82 0.09 1.08 0.00 -0.80 -4.88 105.19 99.79 2c3w n GLY 79 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2c3w n GLY 79 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2c3w h ARG 80 N 2.46 0.00 -2.76 1.61 3.08 -0.72 -3.51 114.38 114.54 2c3w h ARG 80 Ca 0.00 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.33 2c3w h ARG 80 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 2c3w h ARG 80 CO 0.00 0.00 -0.94 -0.25 -1.07 0.00 0.00 179.97 177.71 2c3w n ASP 81 N -2.34 -6.39 -4.73 7.04 8.00 0.16 -4.95 116.55 113.33 2c3w n ASP 81 Ca 0.02 1.08 -0.35 0.00 0.71 0.00 0.00 54.79 56.25 2c3w n ASP 81 Cb 0.48 -3.89 -0.08 0.00 -0.02 0.00 0.00 41.12 37.61 2c3w n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2c3w s TYR 82 N -3.78 3.37 -0.26 1.24 2.02 0.29 -4.77 117.35 115.47 2c3w s TYR 82 Ca 0.00 0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.87 2c3w s TYR 82 Cb 0.00 -2.02 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 2c3w s TYR 82 CO 0.00 0.39 0.16 -0.51 -1.57 0.00 0.00 175.55 174.02 2c3w s ASP 83 N -0.17 5.98 -0.08 2.29 1.01 -1.26 -0.40 116.67 124.04 2c3w s ASP 83 Ca 0.09 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.41 2c3w s ASP 83 Cb -0.12 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.73 2c3w s ASP 83 CO 0.01 0.01 -0.16 -0.36 0.21 0.00 0.00 175.17 174.88 2c3w s PHE 84 N 1.38 1.81 0.46 4.23 0.08 -0.57 -4.98 117.98 120.39 2c3w s PHE 84 Ca 0.07 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.43 2c3w s PHE 84 Cb -0.15 -1.28 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 2c3w s PHE 84 CO 0.07 -0.33 0.67 -1.54 -0.10 0.00 0.00 175.22 173.99 2c3w s SER 85 N 0.60 5.67 0.25 1.36 1.04 -1.26 -0.94 113.70 120.42 2c3w s SER 85 Ca -0.15 0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 2c3w s SER 85 Cb -0.16 -1.23 -0.15 0.00 0.10 0.00 0.00 66.02 64.57 2c3w s SER 85 CO 0.05 -0.81 0.92 -1.20 0.98 0.00 0.00 173.24 173.18 2c3w n SER 86 N -2.09 0.73 0.00 7.02 7.64 -0.58 -4.66 113.62 121.68 2c3w n SER 86 Ca 0.04 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2c3w n SER 86 Cb 0.58 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2c3w n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3w n GLY 87 N 1.50 -0.14 3.45 0.23 0.00 -0.09 -4.86 105.19 105.28 2c3w n GLY 87 Ca 0.12 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 2c3w n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3w s VAL 88 N 0.00 3.45 0.07 1.61 1.01 -1.26 -1.11 120.40 124.18 2c3w s VAL 88 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2c3w s VAL 88 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2c3w s VAL 88 CO 0.00 0.52 -0.04 -1.00 0.00 0.00 0.00 175.10 174.58 2c3w s HIS 89 N 0.16 0.69 -0.08 5.22 4.02 -0.66 -1.36 115.29 123.28 2c3w s HIS 89 Ca -0.05 -1.01 0.04 0.00 1.02 0.00 0.00 55.06 55.06 2c3w s HIS 89 Cb -0.14 -0.45 0.00 0.00 -1.02 0.00 0.00 32.58 30.97 2c3w s HIS 89 CO 0.04 -0.29 -0.20 0.99 1.02 0.00 0.00 174.74 176.30 2c3w s THR 90 N -3.80 1.75 -0.22 1.30 2.01 -0.16 -1.17 115.64 115.34 2c3w s THR 90 Ca 0.10 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 2c3w s THR 90 Cb 0.07 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2c3w s THR 90 CO -0.07 0.49 0.04 -0.22 -0.69 0.00 0.00 174.62 174.16 2c3w s LEU 91 N 0.38 3.41 -0.03 4.42 2.96 0.24 -1.49 118.68 128.56 2c3w s LEU 91 Ca -0.16 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2c3w s LEU 91 Cb -0.17 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2c3w s LEU 91 CO 0.07 0.04 0.04 0.00 -1.32 0.00 0.00 176.35 175.18 2c3w s ALA 92 N 1.13 0.11 -1.44 5.97 0.00 -0.76 -0.99 121.76 125.78 2c3w s ALA 92 Ca 0.03 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 2c3w s ALA 92 Cb -0.14 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.66 2c3w s ALA 92 CO 0.02 -0.21 0.63 -0.25 0.00 0.00 0.00 175.76 175.96 2c3w n ASP 93 N 4.47 -1.62 0.00 0.00 8.00 -1.26 -1.81 116.55 124.32 2c3w n ASP 93 Ca -0.22 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2c3w n ASP 93 Cb 0.50 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 2c3w n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c3w n GLY 94 N -1.75 0.63 3.23 0.44 0.00 -1.26 -5.02 105.19 101.46 2c3w n GLY 94 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2c3w n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2c3w s ARG 95 N -0.19 1.44 -0.10 1.61 3.03 -0.75 -5.06 118.95 118.93 2c3w s ARG 95 Ca 0.00 -0.85 -0.01 0.00 2.03 0.00 0.00 55.73 56.90 2c3w s ARG 95 Cb 0.00 -1.49 -0.03 0.00 -1.03 0.00 0.00 34.95 32.40 2c3w s ARG 95 CO 0.00 0.39 -0.04 0.42 -1.13 0.00 0.00 175.30 174.94 2c3w s ILE 96 N -0.68 3.90 0.08 4.99 1.01 -1.26 -1.82 121.20 127.42 2c3w s ILE 96 Ca 0.07 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.38 2c3w s ILE 96 Cb -0.08 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2c3w s ILE 96 CO 0.01 0.56 -0.12 -0.76 0.00 0.00 0.00 174.94 174.63 2c3w s LEU 97 N -0.41 2.31 0.73 2.97 1.43 -0.56 -4.98 118.68 120.17 2c3w s LEU 97 Ca 0.07 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.35 2c3w s LEU 97 Cb -0.12 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.70 2c3w s LEU 97 CO 0.02 -0.14 1.17 -1.20 0.23 0.00 0.00 176.35 176.44 2c3w n SER 98 N 1.10 1.24 0.00 2.29 7.64 -1.26 -0.99 113.62 123.64 2c3w n SER 98 Ca -0.20 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2c3w n SER 98 Cb 0.55 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2c3w n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3w n GLY 99 N 0.83 -1.23 4.00 0.23 0.00 -0.46 -4.66 105.19 103.90 2c3w n GLY 99 Ca 0.14 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 2c3w n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3w s THR 100 N 0.00 2.77 0.31 2.61 -4.23 -1.26 -2.72 115.64 113.12 2c3w s THR 100 Ca 0.00 -0.91 -0.28 0.00 -1.18 0.00 0.00 61.69 59.32 2c3w s THR 100 Cb 0.00 -2.87 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 2c3w s THR 100 CO 0.00 0.00 1.11 -2.65 -0.54 0.00 0.00 174.62 172.54 2c3w n PRO 101 N -2.06 1.63 0.00 3.99 -0.02 -1.26 -4.88 135.00 132.40 2c3w n PRO 101 Ca 0.09 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 2c3w n PRO 101 Cb 0.60 -2.02 0.67 0.00 -0.02 0.00 0.00 33.50 32.72 2c3w n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11