#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3w n THR 10 N 0.00 0.64 -1.87 0.00 -2.24 -1.26 -4.07 114.28 105.48 2c3w n THR 10 Ca 0.00 0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.64 2c3w n THR 10 Cb 0.00 -1.20 0.05 0.00 -2.10 0.00 0.00 70.33 67.08 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 -5.46 4.97 -0.48 3.42 -0.00 -1.18 -4.33 116.67 113.63 2c3w s ASP 11 Ca 0.00 2.35 -0.17 0.00 -0.00 0.00 0.00 52.55 54.74 2c3w s ASP 11 Cb 0.00 -2.59 0.06 0.00 -0.00 0.00 0.00 42.92 40.39 2c3w s ASP 11 CO 0.00 -1.74 0.46 -0.63 -0.00 0.00 0.00 175.17 173.26 2c3w s ILE 12 N -1.73 5.13 -0.20 0.77 1.01 -0.63 -0.70 121.20 124.85 2c3w s ILE 12 Ca 0.76 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 2c3w s ILE 12 Cb -0.29 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2c3w s ILE 12 CO 0.36 -0.62 0.09 -0.89 0.00 0.00 0.00 174.94 173.88 2c3w s THR 13 N 1.93 4.99 -0.08 2.92 2.01 -0.54 -0.24 115.64 126.64 2c3w s THR 13 Ca 0.07 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2c3w s THR 13 Cb -0.22 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2c3w s THR 13 CO 0.08 0.43 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.72 2c3w s ILE 14 N 0.56 1.01 -0.03 1.82 1.01 -0.21 -1.60 121.20 123.76 2c3w s ILE 14 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2c3w s ILE 14 Cb -0.12 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2c3w s ILE 14 CO 0.01 0.34 0.13 -0.31 0.00 0.00 0.00 174.94 175.11 2c3w s TYR 15 N 1.10 3.45 -0.03 3.97 2.02 0.04 -0.78 117.35 127.12 2c3w s TYR 15 Ca -0.07 0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2c3w s TYR 15 Cb -0.14 -1.81 0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2c3w s TYR 15 CO -0.01 0.62 0.05 -0.47 -1.57 0.00 0.00 175.55 174.17 2c3w s TYR 16 N -1.22 0.05 -0.37 2.71 5.04 -0.13 -0.87 117.35 122.56 2c3w s TYR 16 Ca 0.23 0.22 -0.29 0.00 -2.44 0.00 0.00 57.07 54.80 2c3w s TYR 16 Cb -0.12 -0.40 0.02 0.00 0.35 0.00 0.00 41.96 41.81 2c3w s TYR 16 CO 0.14 -0.16 1.08 0.21 -1.34 0.00 0.00 175.55 175.49 2c3w s LYS 17 N 1.81 3.96 -0.09 4.97 2.20 -0.35 -1.40 119.74 130.84 2c3w s LYS 17 Ca 0.00 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.22 2c3w s LYS 17 Cb -0.12 -3.79 0.07 0.00 -1.51 0.00 0.00 37.83 32.48 2c3w s LYS 17 CO -0.03 -1.04 0.67 -0.08 -0.36 0.00 0.00 175.35 174.51 2c3w s THR 18 N 3.87 0.00 -2.57 3.43 -1.32 -0.31 -4.74 115.64 114.00 2c3w s THR 18 Ca 0.46 -0.02 0.22 0.00 -1.21 0.00 0.00 61.69 61.14 2c3w s THR 18 Cb -0.11 -0.98 0.24 0.00 -1.51 0.00 0.00 72.50 70.14 2c3w s THR 18 CO 0.20 -0.01 1.24 0.61 -2.21 0.00 0.00 174.62 174.45 2c3w n GLY 19 N 1.23 1.05 3.76 6.08 0.00 -1.26 -4.52 105.19 111.52 2c3w n GLY 19 Ca -0.18 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2c3w n GLY 19 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c3w s TRP 20 N -1.68 2.42 0.08 1.61 0.51 -1.26 -4.92 118.94 115.69 2c3w s TRP 20 Ca 0.29 1.39 -0.14 0.00 -2.12 0.00 0.00 56.10 55.51 2c3w s TRP 20 Cb 0.19 -3.74 -0.20 0.00 -0.81 0.00 0.00 33.47 28.91 2c3w s TRP 20 CO 0.28 -2.66 1.23 1.15 -0.51 0.00 0.00 176.95 176.44 2c3w h THR 21 N 1.65 1.30 -2.17 2.01 2.02 -1.94 -3.37 112.91 112.41 2c3w h THR 21 Ca -0.51 -2.07 -0.58 0.00 0.77 0.00 0.00 66.41 64.02 2c3w h THR 21 Cb 1.29 2.21 -0.41 0.00 -1.74 0.00 0.00 68.15 69.49 2c3w h THR 21 CO 0.58 0.64 -0.73 1.41 0.37 0.00 0.00 175.52 177.80 2c3w n HIS 22 N -3.97 2.85 -2.40 3.16 8.25 -1.26 -5.09 115.22 116.77 2c3w n HIS 22 Ca -0.09 -4.00 -0.40 0.00 -0.26 0.00 0.00 57.72 52.96 2c3w n HIS 22 Cb 0.78 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.49 4.57 0.09 -0.41 0.04 -1.26 -3.09 135.00 132.46 2c3w s PRO 23 Ca 0.41 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.40 2c3w s PRO 23 Cb 0.20 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2c3w s PRO 23 CO -0.06 0.11 -0.16 -1.01 0.04 0.00 0.00 177.00 175.92 2c3w s HIS 24 N -1.06 1.42 -0.20 0.56 3.76 0.34 -1.85 115.29 118.26 2c3w s HIS 24 Ca 0.46 -0.47 -0.05 0.00 -0.15 0.00 0.00 55.06 54.86 2c3w s HIS 24 Cb -0.34 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 2c3w s HIS 24 CO 0.43 0.12 -0.01 -1.50 -0.85 0.00 0.00 174.74 172.93 2c3w s ILE 25 N -1.42 3.83 -0.23 0.60 2.07 0.98 -1.50 121.20 125.53 2c3w s ILE 25 Ca 0.03 -0.35 -0.07 0.00 -1.41 0.00 0.00 60.65 58.84 2c3w s ILE 25 Cb -0.09 -2.73 -0.03 0.00 0.13 0.00 0.00 42.46 39.74 2c3w s ILE 25 CO 0.03 0.43 0.05 -2.28 -1.91 0.00 0.00 174.94 171.27 2c3w s HIS 26 N 1.05 3.10 0.11 3.50 5.65 -0.09 -0.54 115.29 128.07 2c3w s HIS 26 Ca 0.02 -0.32 -0.11 0.00 0.25 0.00 0.00 55.06 54.89 2c3w s HIS 26 Cb -0.14 -2.17 0.01 0.00 -1.18 0.00 0.00 32.58 29.09 2c3w s HIS 26 CO 0.01 -0.23 0.27 1.52 -0.65 0.00 0.00 174.74 175.66 2c3w s TYR 27 N 1.24 0.05 -0.21 3.88 -0.85 -1.26 -0.95 117.35 119.25 2c3w s TYR 27 Ca 0.04 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 2c3w s TYR 27 Cb -0.14 0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.27 2c3w s TYR 27 CO 0.03 -0.62 -0.15 0.45 -1.52 0.00 0.00 175.55 173.74 2c3w s SER 28 N -2.85 3.63 -0.22 -0.18 0.15 -0.46 -0.85 113.70 112.92 2c3w s SER 28 Ca 0.05 -0.82 -0.18 0.00 0.70 0.00 0.00 55.95 55.70 2c3w s SER 28 Cb 0.04 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 2c3w s SER 28 CO -0.10 -0.06 0.52 -0.22 1.20 0.00 0.00 173.24 174.58 2c3w s LEU 29 N 1.27 4.12 -1.38 3.45 2.96 -1.26 -1.47 118.68 126.36 2c3w s LEU 29 Ca 0.01 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 2c3w s LEU 29 Cb -0.15 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.85 2c3w s LEU 29 CO -0.10 -0.22 0.58 0.59 -1.32 0.00 0.00 176.35 175.89 2c3w n ASN 30 N 5.03 -1.02 -1.56 3.68 3.02 0.59 -1.01 115.26 124.00 2c3w n ASN 30 Ca -0.04 -0.92 -0.20 0.00 -0.03 0.00 0.00 54.58 53.39 2c3w n ASN 30 Cb 0.50 -3.51 -0.09 0.00 -0.61 0.00 0.00 39.78 36.07 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 -4.36 -1.47 0.00 3.52 1.13 -1.26 -4.98 117.38 109.96 2c3w n GLN 31 Ca -0.27 1.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.99 2c3w n GLN 31 Cb 0.67 -5.59 0.00 0.00 0.11 0.00 0.00 30.24 25.42 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 -0.35 0.31 3.73 1.08 0.00 -0.18 -5.02 105.19 104.75 2c3w n GLY 32 Ca -0.20 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.00 1.62 -1.77 4.61 0.00 -1.26 -4.58 120.51 116.14 2c3w n ALA 33 Ca 0.00 0.29 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 2c3w n ALA 33 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 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 -1.17 3.08 0.64 0.00 0.52 -1.26 -4.22 118.94 116.52 2c3w s TRP 34 Ca 0.59 1.55 -0.17 0.00 0.02 0.00 0.00 56.10 58.09 2c3w s TRP 34 Cb -0.50 -3.40 -0.04 0.00 -1.15 0.00 0.00 33.47 28.39 2c3w s TRP 34 CO 0.59 -1.32 0.89 0.25 0.02 0.00 0.00 176.95 177.39 2c3w n THR 35 N 0.12 3.32 -1.72 2.01 -2.24 -0.03 -4.95 114.28 110.78 2c3w n THR 35 Ca 0.04 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 2c3w n THR 35 Cb 0.46 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 2c3w n THR 35 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2c3w n THR 36 N -1.99 0.57 -2.15 4.28 -1.04 -1.26 -4.76 114.28 107.94 2c3w n THR 36 Ca 0.13 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 2c3w n THR 36 Cb 0.48 -1.86 0.01 0.00 -1.82 0.00 0.00 70.33 67.15 2c3w n THR 36 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2c3w s LEU 37 N 0.28 3.78 -0.00 -4.42 1.43 -1.26 -0.26 118.68 118.23 2c3w s LEU 37 Ca 0.70 2.31 0.03 0.00 -1.03 0.00 0.00 54.13 56.13 2c3w s LEU 37 Cb -0.54 -4.50 0.09 0.00 0.03 0.00 0.00 46.19 41.27 2c3w s LEU 37 CO 0.42 -1.30 1.02 -0.81 0.23 0.00 0.00 176.35 175.91 2c3w n PRO 38 N -1.21 1.25 0.00 1.29 -0.04 -1.26 -5.09 135.00 129.95 2c3w n PRO 38 Ca 0.11 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2c3w n PRO 38 Cb 0.50 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.58 -1.55 3.74 0.55 0.00 0.64 -4.16 105.19 104.99 2c3w n GLY 39 Ca 0.03 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 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 5.16 0.42 1.61 1.01 0.30 -4.84 120.40 124.06 2c3w s VAL 40 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2c3w s VAL 40 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 2c3w s VAL 40 CO 0.00 0.51 1.28 -2.16 0.00 0.00 0.00 175.10 174.73 2c3w s PRO 41 N -0.10 3.89 0.06 2.72 0.04 -1.26 -0.01 135.00 140.34 2c3w s PRO 41 Ca 0.09 2.10 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 2c3w s PRO 41 Cb -0.12 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 2c3w s PRO 41 CO 0.00 -0.54 0.32 -0.51 0.04 0.00 0.00 177.00 176.32 2c3w s LEU 42 N -2.58 4.34 0.00 -3.56 1.02 -0.77 -4.82 118.68 112.30 2c3w s LEU 42 Ca 0.59 0.60 0.00 0.00 0.02 0.00 0.00 54.13 55.34 2c3w s LEU 42 Cb -0.37 -2.93 -0.00 0.00 0.02 0.00 0.00 46.19 42.92 2c3w s LEU 42 CO 0.47 0.18 0.01 0.35 0.02 0.00 0.00 176.35 177.37 2c3w n THR 43 N 0.75 0.00 -1.77 5.49 -2.24 -0.28 -4.69 114.28 111.55 2c3w n THR 43 Ca -0.08 -1.39 -0.40 0.00 -2.27 0.00 0.00 64.05 59.92 2c3w n THR 43 Cb 0.52 0.30 0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2c3w n THR 43 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2c3w s LYS 44 N -3.04 3.74 0.48 -0.78 2.20 -1.26 -0.04 119.74 121.04 2c3w s LYS 44 Ca 0.01 2.48 0.03 0.00 -0.36 0.00 0.00 55.97 58.13 2c3w s LYS 44 Cb 0.00 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 2c3w s LYS 44 CO 0.01 -0.79 0.00 -1.54 -0.36 0.00 0.00 175.35 172.67 2c3w s SER 45 N -0.41 4.04 0.00 1.43 1.04 -1.24 -4.50 113.70 114.06 2c3w s SER 45 Ca 0.60 -1.57 0.19 0.00 0.48 0.00 0.00 55.95 55.65 2c3w s SER 45 Cb -0.45 0.24 0.79 0.00 0.10 0.00 0.00 66.02 66.70 2c3w s SER 45 CO 0.58 -0.73 1.56 -1.84 0.98 0.00 0.00 173.24 173.80 2c3w n GLU 46 N -1.17 1.56 -4.04 4.02 0.00 -1.26 -4.74 120.64 115.00 2c3w n GLU 46 Ca -0.15 -0.84 -0.33 0.00 0.00 0.00 0.00 57.16 55.84 2c3w n GLU 46 Cb 0.67 -1.36 -0.15 0.00 0.00 0.00 0.00 31.44 30.60 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 -1.83 3.07 0.18 -1.84 2.02 -1.26 -5.08 117.35 112.61 2c3w s TYR 47 Ca 0.30 -1.88 -0.33 0.00 -0.37 0.00 0.00 57.07 54.79 2c3w s TYR 47 Cb 0.16 -1.97 -0.15 0.00 -0.40 0.00 0.00 41.96 39.60 2c3w s TYR 47 CO 0.24 -0.81 1.36 -1.91 -1.57 0.00 0.00 175.55 172.86 2c3w n GLU 48 N 4.57 1.64 -0.37 -0.62 2.13 -1.26 -1.21 120.64 125.52 2c3w n GLU 48 Ca -0.17 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2c3w n GLU 48 Cb 0.46 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.95 2c3w n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3w n GLY 49 N 2.42 1.01 3.28 8.31 0.00 -1.26 -5.04 105.19 113.90 2c3w n GLY 49 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.90 1.89 0.44 1.61 1.51 -0.35 -1.16 117.35 118.40 2c3w s TYR 50 Ca 0.00 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 2c3w s TYR 50 Cb 0.00 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 2c3w s TYR 50 CO 0.00 0.14 0.05 0.14 -1.11 0.00 0.00 175.55 174.77 2c3w s VAL 51 N -0.90 1.79 0.09 0.71 -7.23 -0.50 -3.63 120.40 110.74 2c3w s VAL 51 Ca 0.08 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 2c3w s VAL 51 Cb -0.09 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2c3w s VAL 51 CO 0.03 0.00 0.22 -1.59 -0.31 0.00 0.00 175.10 173.45 2c3w s LYS 52 N -3.81 0.88 -0.03 4.82 -2.85 0.94 -0.95 119.74 118.73 2c3w s LYS 52 Ca 0.28 -0.93 -0.17 0.00 -1.00 0.00 0.00 55.97 54.14 2c3w s LYS 52 Cb 0.06 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 2c3w s LYS 52 CO 0.15 -0.29 0.37 0.54 0.10 0.00 0.00 175.35 176.22 2c3w s VAL 53 N -3.86 0.04 -0.16 1.79 0.11 0.04 -1.12 120.40 117.26 2c3w s VAL 53 Ca 0.05 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 2c3w s VAL 53 Cb 0.04 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2c3w s VAL 53 CO -0.11 -0.20 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.40 2c3w s THR 54 N -1.20 1.74 -0.27 5.04 2.01 -1.26 -1.05 115.64 120.65 2c3w s THR 54 Ca -0.12 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2c3w s THR 54 Cb -0.04 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2c3w s THR 54 CO 0.05 0.49 0.17 -0.63 -0.69 0.00 0.00 174.62 174.01 2c3w s ILE 55 N 1.36 5.21 0.17 1.82 -1.09 0.67 -4.97 121.20 124.38 2c3w s ILE 55 Ca 0.04 0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.28 2c3w s ILE 55 Cb -0.13 -3.47 -0.10 0.00 -1.58 0.00 0.00 42.46 37.18 2c3w s ILE 55 CO -0.10 0.28 1.55 -0.70 -1.23 0.00 0.00 174.94 174.73 2c3w s GLU 56 N 1.63 4.22 0.07 2.79 2.12 -1.26 -1.61 118.70 126.66 2c3w s GLU 56 Ca 0.07 2.36 -0.26 0.00 0.36 0.00 0.00 54.97 57.49 2c3w s GLU 56 Cb -0.16 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.16 2c3w s GLU 56 CO 0.09 -0.59 0.66 0.00 -0.54 0.00 0.00 175.26 174.88 2c3w s ALA 57 N 1.01 -1.68 0.60 6.30 0.00 -1.26 -4.89 121.76 121.85 2c3w s ALA 57 Ca 0.69 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 2c3w s ALA 57 Cb -0.44 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2c3w s ALA 57 CO 0.33 -0.63 1.00 -1.21 0.00 0.00 0.00 175.76 175.25 2c3w s GLU 58 N -2.84 3.59 0.38 0.00 2.02 -1.26 -3.08 118.70 117.51 2c3w s GLU 58 Ca -0.02 0.69 -0.25 0.00 0.02 0.00 0.00 54.97 55.41 2c3w s GLU 58 Cb -0.01 -2.11 -0.12 0.00 0.10 0.00 0.00 34.13 31.99 2c3w s GLU 58 CO -0.05 -0.53 0.85 -0.85 0.02 0.00 0.00 175.26 174.70 2c3w n GLU 59 N -2.69 1.05 -1.16 1.61 0.28 -1.26 -2.60 120.64 115.87 2c3w n GLU 59 Ca 0.05 0.38 -0.01 0.00 -0.16 0.00 0.00 57.16 57.42 2c3w n GLU 59 Cb 0.54 -1.79 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 2c3w n GLU 59 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2c3w n GLY 60 N 1.41 0.46 3.90 -1.84 0.00 -1.26 -5.02 105.19 102.84 2c3w n GLY 60 Ca 0.10 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.98 6.30 0.03 1.61 0.01 -1.07 -4.93 113.70 112.66 2c3w s SER 61 Ca 0.00 0.99 0.01 0.00 1.31 0.00 0.00 55.95 58.26 2c3w s SER 61 Cb 0.00 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 2c3w s SER 61 CO 0.00 -0.58 -0.05 -1.58 0.41 0.00 0.00 173.24 171.44 2c3w s GLN 62 N -4.65 0.44 0.08 12.44 0.74 -1.26 -1.34 119.66 126.10 2c3w s GLN 62 Ca 0.48 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 55.17 2c3w s GLN 62 Cb -0.10 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.92 2c3w s GLN 62 CO 0.44 -0.02 -0.06 -0.48 -0.55 0.00 0.00 175.29 174.62 2c3w s LEU 63 N -1.68 2.46 -0.12 3.68 0.05 0.41 -0.30 118.68 123.17 2c3w s LEU 63 Ca -0.11 -0.91 -0.03 0.00 0.05 0.00 0.00 54.13 53.13 2c3w s LEU 63 Cb -0.08 -0.07 -0.03 0.00 -2.05 0.00 0.00 46.19 43.96 2c3w s LEU 63 CO -0.01 -0.43 -0.01 -0.13 -0.55 0.00 0.00 176.35 175.22 2c3w s ARG 64 N -3.38 3.36 0.02 1.48 0.52 -0.54 -1.31 118.95 119.09 2c3w s ARG 64 Ca 0.07 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2c3w s ARG 64 Cb 0.02 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 2c3w s ARG 64 CO -0.04 0.48 -0.01 0.00 0.02 0.00 0.00 175.30 175.74 2c3w s ALA 65 N -0.26 0.08 0.01 2.13 0.00 0.29 -1.35 121.76 122.65 2c3w s ALA 65 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2c3w s ALA 65 Cb -0.12 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2c3w s ALA 65 CO 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 175.76 175.53 2c3w s ALA 66 N -1.45 0.70 0.05 0.00 0.00 -0.12 0.09 121.76 121.02 2c3w s ALA 66 Ca -0.16 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2c3w s ALA 66 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2c3w s ALA 66 CO -0.01 0.12 0.03 -0.06 0.00 0.00 0.00 175.76 175.84 2c3w s PHE 67 N -0.58 3.09 0.18 0.00 0.08 -0.48 -0.91 117.98 119.36 2c3w s PHE 67 Ca -0.00 0.05 -0.09 0.00 0.12 0.00 0.00 56.93 57.00 2c3w s PHE 67 Cb -0.05 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2c3w s PHE 67 CO 0.00 0.49 0.30 0.54 -0.10 0.00 0.00 175.22 176.46 2c3w s ASN 68 N -2.07 0.03 -0.05 1.36 4.22 -0.56 0.12 114.94 117.98 2c3w s ASN 68 Ca 0.25 -0.90 0.13 0.00 -2.14 0.00 0.00 52.86 50.20 2c3w s ASN 68 Cb -0.12 0.45 0.46 0.00 1.28 0.00 0.00 41.25 43.33 2c3w s ASN 68 CO 0.17 -0.92 1.34 -0.46 -2.04 0.00 0.00 177.10 175.19 2c3w n ASN 69 N -0.24 3.07 0.00 3.54 2.04 0.03 -0.50 115.26 123.19 2c3w n ASN 69 Ca -0.06 -2.19 0.00 0.00 -0.44 0.00 0.00 54.58 51.88 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 1.00 2.20 2.53 4.83 0.00 -1.18 -4.27 105.19 110.29 2c3w n GLY 70 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 2.45 0.00 1.61 7.64 -1.26 -4.96 113.62 119.10 2c3w n SER 71 Ca 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.37 2c3w n SER 71 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.59 0.93 3.73 0.23 0.00 -1.26 -5.03 105.19 103.19 2c3w n GLY 72 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2c3w n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3w s GLN 73 N -0.09 4.27 0.26 1.61 -1.52 -1.26 -4.99 119.66 117.94 2c3w s GLN 73 Ca 0.00 0.19 0.12 0.00 -1.95 0.00 0.00 55.36 53.72 2c3w s GLN 73 Cb 0.00 -3.43 -0.05 0.00 -0.22 0.00 0.00 33.01 29.32 2c3w s GLN 73 CO 0.00 0.22 -0.20 -1.58 -0.25 0.00 0.00 175.29 173.48 2c3w s TRP 74 N 0.49 2.32 -0.32 0.91 0.52 -1.26 -0.79 118.94 120.81 2c3w s TRP 74 Ca 0.19 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 2c3w s TRP 74 Cb -0.14 -1.04 0.10 0.00 -1.15 0.00 0.00 33.47 31.25 2c3w s TRP 74 CO 0.06 0.66 0.10 0.34 0.02 0.00 0.00 176.95 178.13 2c3w s ASP 75 N -3.32 4.02 -0.11 2.95 2.15 0.12 -4.95 116.67 117.52 2c3w s ASP 75 Ca 0.28 -1.70 0.15 0.00 0.43 0.00 0.00 52.55 51.71 2c3w s ASP 75 Cb -0.06 -0.88 0.27 0.00 -0.30 0.00 0.00 42.92 41.95 2c3w s ASP 75 CO 0.14 -0.41 1.14 -0.46 -0.17 0.00 0.00 175.17 175.41 2c3w n ASN 76 N 4.77 1.74 -3.43 -0.34 0.23 -1.26 -1.38 115.26 115.59 2c3w n ASN 76 Ca -0.01 -2.99 -0.18 0.00 -0.53 0.00 0.00 54.58 50.86 2c3w n ASN 76 Cb 0.42 -0.40 0.07 0.00 -2.08 0.00 0.00 39.78 37.78 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 -1.02 -3.71 -3.49 0.53 5.15 -1.26 0.18 115.26 111.64 2c3w n ASN 77 Ca 0.13 -0.71 -0.26 0.00 -0.60 0.00 0.00 54.58 53.14 2c3w n ASN 77 Cb 0.69 -4.85 0.03 0.00 -0.53 0.00 0.00 39.78 35.12 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 -3.85 -5.22 -0.81 1.20 1.13 -1.26 -1.61 117.38 106.96 2c3w n GLN 78 Ca -0.20 0.69 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2c3w n GLN 78 Cb 0.65 -5.56 0.00 0.00 0.11 0.00 0.00 30.24 25.44 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 -1.57 1.12 0.03 1.08 0.00 -0.80 -4.91 105.19 100.14 2c3w n GLY 79 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2c3w n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3w n ARG 80 N -2.00 0.22 -1.05 1.61 1.74 -0.62 -5.07 116.66 111.49 2c3w n ARG 80 Ca 0.00 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.23 2c3w n ARG 80 Cb 0.00 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 2c3w n ARG 80 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2c3w n ASP 81 N -1.89 -6.02 -4.68 0.55 8.00 0.13 -4.98 116.55 107.65 2c3w n ASP 81 Ca 0.03 0.90 -0.31 0.00 0.71 0.00 0.00 54.79 56.11 2c3w n ASP 81 Cb 0.41 -3.50 -0.09 0.00 -0.02 0.00 0.00 41.12 37.93 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 -3.40 3.02 -0.13 1.24 2.02 0.11 -4.75 117.35 115.46 2c3w s TYR 82 Ca 0.00 0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2c3w s TYR 82 Cb 0.00 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2c3w s TYR 82 CO 0.00 0.46 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.82 2c3w s ASP 83 N -1.88 4.21 0.00 2.29 1.01 -1.26 -0.55 116.67 120.50 2c3w s ASP 83 Ca 0.22 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.24 2c3w s ASP 83 Cb -0.12 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 2c3w s ASP 83 CO 0.14 0.18 -0.11 -0.36 0.21 0.00 0.00 175.17 175.23 2c3w s PHE 84 N 0.30 0.94 0.39 4.23 0.08 -0.43 -4.99 117.98 118.49 2c3w s PHE 84 Ca -0.08 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.82 2c3w s PHE 84 Cb -0.15 -0.59 -0.07 0.00 -0.57 0.00 0.00 43.02 41.64 2c3w s PHE 84 CO 0.05 -0.01 0.03 -1.54 -0.10 0.00 0.00 175.22 173.65 2c3w s SER 85 N -0.50 4.04 0.23 1.36 1.04 -1.26 -0.45 113.70 118.15 2c3w s SER 85 Ca 0.02 -1.20 -0.30 0.00 0.48 0.00 0.00 55.95 54.96 2c3w s SER 85 Cb -0.05 -0.44 -0.15 0.00 0.10 0.00 0.00 66.02 65.48 2c3w s SER 85 CO -0.00 -0.39 0.96 -1.20 0.98 0.00 0.00 173.24 173.60 2c3w n SER 86 N -1.00 0.78 0.00 7.02 7.64 -0.45 -4.66 113.62 122.95 2c3w n SER 86 Ca -0.04 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2c3w n SER 86 Cb 0.65 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 1.62 -0.68 3.41 0.23 0.00 0.13 -4.86 105.19 105.04 2c3w n GLY 87 Ca 0.13 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 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 3.54 0.07 1.61 1.01 -1.26 -1.46 120.40 123.91 2c3w s VAL 88 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2c3w s VAL 88 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2c3w s VAL 88 CO 0.00 0.48 -0.09 -1.00 0.00 0.00 0.00 175.10 174.48 2c3w s HIS 89 N 0.70 0.92 -0.09 5.22 4.02 -0.63 -0.36 115.29 125.08 2c3w s HIS 89 Ca -0.03 -0.61 0.04 0.00 1.02 0.00 0.00 55.06 55.48 2c3w s HIS 89 Cb -0.15 -0.52 -0.01 0.00 -1.02 0.00 0.00 32.58 30.89 2c3w s HIS 89 CO 0.02 -0.04 -0.23 0.99 1.02 0.00 0.00 174.74 176.49 2c3w s THR 90 N -2.10 2.14 -0.23 1.30 2.01 0.07 -0.78 115.64 118.06 2c3w s THR 90 Ca 0.00 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 2c3w s THR 90 Cb -0.05 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 2c3w s THR 90 CO -0.00 0.56 0.04 -0.22 -0.69 0.00 0.00 174.62 174.31 2c3w s LEU 91 N 0.15 3.32 -0.05 4.42 2.96 -0.05 -0.66 118.68 128.77 2c3w s LEU 91 Ca -0.13 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2c3w s LEU 91 Cb -0.16 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.69 2c3w s LEU 91 CO 0.07 -0.01 0.09 0.00 -1.32 0.00 0.00 176.35 175.17 2c3w s ALA 92 N 1.45 0.07 -1.40 5.97 0.00 -0.73 -1.21 121.76 125.91 2c3w s ALA 92 Ca 0.05 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 2c3w s ALA 92 Cb -0.15 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.43 2c3w s ALA 92 CO 0.02 -0.41 0.83 -0.25 0.00 0.00 0.00 175.76 175.95 2c3w n ASP 93 N 5.00 -2.81 0.00 0.00 8.00 -1.26 -1.42 116.55 124.05 2c3w n ASP 93 Ca -0.10 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.60 2c3w n ASP 93 Cb 0.50 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 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 -1.64 0.81 3.24 0.44 0.00 -1.26 -5.02 105.19 101.76 2c3w n GLY 94 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.06 1.89 -0.18 1.61 1.70 -0.51 -5.06 118.95 118.35 2c3w s ARG 95 Ca 0.00 -0.80 -0.06 0.00 -0.47 0.00 0.00 55.73 54.41 2c3w s ARG 95 Cb 0.00 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.56 2c3w s ARG 95 CO 0.00 0.45 0.02 0.42 -1.08 0.00 0.00 175.30 175.11 2c3w s ILE 96 N -0.45 4.34 0.22 4.99 1.01 -1.26 -1.77 121.20 128.29 2c3w s ILE 96 Ca 0.06 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.62 2c3w s ILE 96 Cb -0.09 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 2c3w s ILE 96 CO -0.00 0.46 -0.19 -0.76 0.00 0.00 0.00 174.94 174.45 2c3w s LEU 97 N 0.48 2.52 0.62 2.97 1.43 0.17 -4.98 118.68 121.89 2c3w s LEU 97 Ca 0.00 -0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2c3w s LEU 97 Cb -0.13 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 2c3w s LEU 97 CO 0.02 -0.01 1.20 -0.44 0.23 0.00 0.00 176.35 177.35 2c3w s SER 98 N -3.13 5.03 0.00 2.29 0.01 -1.26 -0.75 113.70 115.89 2c3w s SER 98 Ca 0.24 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.84 2c3w s SER 98 Cb -0.05 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2c3w s SER 98 CO 0.10 -1.70 0.00 0.61 0.41 0.00 0.00 173.24 172.67 2c3w n GLY 99 N 0.39 -2.05 3.94 3.44 0.00 0.51 -4.69 105.19 106.73 2c3w n GLY 99 Ca 0.13 -1.50 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 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 3.33 -2.00 2.61 -4.23 -1.26 -2.61 115.64 111.48 2c3w s THR 100 Ca 0.00 -0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 2c3w s THR 100 Cb 0.00 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.61 2c3w s THR 100 CO 0.00 -0.28 0.65 -2.65 -0.54 0.00 0.00 174.62 171.80