#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3x s ASP 11 N 0.00 4.82 -0.43 8.00 -0.00 -1.24 -4.41 116.67 123.40 2c3x s ASP 11 Ca 0.00 1.79 -0.18 0.00 -0.00 0.00 0.00 52.55 54.16 2c3x s ASP 11 Cb 0.00 -2.52 0.02 0.00 -0.00 0.00 0.00 42.92 40.43 2c3x s ASP 11 CO 0.00 -1.82 0.49 -0.63 -0.00 0.00 0.00 175.17 173.21 2c3x s ILE 12 N -2.87 5.02 -0.14 0.77 1.01 0.10 -0.31 121.20 124.79 2c3x s ILE 12 Ca 0.61 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 2c3x s ILE 12 Cb -0.17 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2c3x s ILE 12 CO 0.54 -0.48 -0.02 -0.89 0.00 0.00 0.00 174.94 174.09 2c3x s THR 13 N 2.31 4.08 -0.07 2.92 2.01 0.44 0.90 115.64 128.23 2c3x s THR 13 Ca 0.14 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2c3x s THR 13 Cb -0.17 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.59 2c3x s THR 13 CO 0.15 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.84 2c3x s ILE 14 N 0.05 1.12 -0.15 1.82 1.01 -0.02 -1.20 121.20 123.83 2c3x s ILE 14 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 2c3x s ILE 14 Cb -0.13 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2c3x s ILE 14 CO 0.02 0.35 0.03 -0.31 0.00 0.00 0.00 174.94 175.03 2c3x s TYR 15 N 0.69 3.20 -0.05 3.97 2.02 0.95 -1.56 117.35 126.57 2c3x s TYR 15 Ca -0.14 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 2c3x s TYR 15 Cb -0.16 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2c3x s TYR 15 CO 0.03 0.23 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.70 2c3x s TYR 16 N -0.05 1.04 -0.10 2.71 5.04 0.74 0.03 117.35 126.77 2c3x s TYR 16 Ca 0.05 -0.35 -0.21 0.00 -2.44 0.00 0.00 57.07 54.12 2c3x s TYR 16 Cb -0.12 -0.83 -0.04 0.00 0.35 0.00 0.00 41.96 41.31 2c3x s TYR 16 CO 0.02 -0.23 0.61 0.21 -1.34 0.00 0.00 175.55 174.82 2c3x s LYS 17 N 0.83 4.38 -0.20 4.97 2.20 -0.35 -0.51 119.74 131.06 2c3x s LYS 17 Ca -0.12 0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 55.88 2c3x s LYS 17 Cb -0.15 -3.46 0.15 0.00 -1.51 0.00 0.00 37.83 32.87 2c3x s LYS 17 CO 0.01 0.07 1.16 -0.08 -0.36 0.00 0.00 175.35 176.15 2c3x s THR 18 N 0.85 0.00 -0.68 3.43 -1.32 -0.61 -4.76 115.64 112.55 2c3x s THR 18 Ca 0.32 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.02 2c3x s THR 18 Cb -0.17 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.58 2c3x s THR 18 CO 0.14 0.00 0.80 0.61 -2.21 0.00 0.00 174.62 173.97 2c3x n GLY 19 N 0.41 -1.03 3.56 6.08 0.00 -1.26 -4.54 105.19 108.41 2c3x n GLY 19 Ca -0.04 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2c3x n GLY 19 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2c3x n TRP 20 N -1.77 0.79 -0.05 1.61 8.01 -1.26 -4.94 117.44 119.83 2c3x n TRP 20 Ca 0.01 0.62 -0.09 0.00 -1.31 0.00 0.00 57.50 56.73 2c3x n TRP 20 Cb 0.41 -2.17 -0.15 0.00 -2.01 0.00 0.00 31.31 27.39 2c3x n TRP 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2c3x n THR 21 N -0.38 1.54 -3.03 -0.99 -2.24 -1.26 -4.29 114.28 103.64 2c3x n THR 21 Ca 0.10 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 2c3x n THR 21 Cb 0.37 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 2c3x n THR 21 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2c3x n HIS 22 N -2.95 3.75 -1.96 4.78 8.25 -1.26 -5.09 115.22 120.74 2c3x n HIS 22 Ca -0.22 -3.82 -0.41 0.00 -0.26 0.00 0.00 57.72 53.01 2c3x n HIS 22 Cb 1.09 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 2c3x n HIS 22 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2c3x s PRO 23 N -3.31 4.20 0.05 -0.41 0.04 -1.26 -2.85 135.00 131.47 2c3x s PRO 23 Ca 0.45 2.38 0.05 0.00 0.04 0.00 0.00 61.00 63.93 2c3x s PRO 23 Cb 0.23 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 2c3x s PRO 23 CO -0.10 -0.38 -0.15 -1.01 0.04 0.00 0.00 177.00 175.40 2c3x s HIS 24 N -1.14 1.30 -0.18 0.56 3.76 -0.05 -1.39 115.29 118.15 2c3x s HIS 24 Ca 0.51 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 2c3x s HIS 24 Cb -0.43 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 2c3x s HIS 24 CO 0.58 0.06 0.03 -1.50 -0.85 0.00 0.00 174.74 173.05 2c3x s ILE 25 N -1.01 4.41 -0.17 0.60 2.07 -0.56 -0.70 121.20 125.83 2c3x s ILE 25 Ca 0.01 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 2c3x s ILE 25 Cb -0.09 -2.98 0.01 0.00 0.13 0.00 0.00 42.46 39.54 2c3x s ILE 25 CO 0.02 0.46 -0.18 -2.28 -1.91 0.00 0.00 174.94 171.05 2c3x s HIS 26 N 0.52 2.78 0.12 3.50 5.65 -0.09 -1.03 115.29 126.73 2c3x s HIS 26 Ca 0.01 -1.43 -0.04 0.00 0.25 0.00 0.00 55.06 53.85 2c3x s HIS 26 Cb -0.13 -1.91 -0.03 0.00 -1.18 0.00 0.00 32.58 29.32 2c3x s HIS 26 CO 0.02 -0.70 0.10 1.52 -0.65 0.00 0.00 174.74 175.03 2c3x s TYR 27 N 1.15 0.60 -0.27 3.88 -0.85 -1.26 -1.47 117.35 119.13 2c3x s TYR 27 Ca 0.01 -1.02 0.03 0.00 -0.52 0.00 0.00 57.07 55.57 2c3x s TYR 27 Cb -0.14 -0.32 0.06 0.00 0.38 0.00 0.00 41.96 41.95 2c3x s TYR 27 CO -0.08 -0.54 -0.08 0.45 -1.52 0.00 0.00 175.55 173.78 2c3x s SER 28 N -2.98 4.41 0.04 -0.18 0.15 0.20 -1.07 113.70 114.27 2c3x s SER 28 Ca 0.17 -1.46 -0.30 0.00 0.70 0.00 0.00 55.95 55.05 2c3x s SER 28 Cb 0.06 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 2c3x s SER 28 CO -0.03 -0.22 1.05 -0.22 1.20 0.00 0.00 173.24 175.03 2c3x s LEU 29 N 1.12 4.39 -0.87 3.45 2.96 -1.26 -2.32 118.68 126.15 2c3x s LEU 29 Ca -0.06 1.81 -0.12 0.00 -0.22 0.00 0.00 54.13 55.54 2c3x s LEU 29 Cb -0.20 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.93 2c3x s LEU 29 CO -0.06 -0.31 0.23 0.59 -1.32 0.00 0.00 176.35 175.48 2c3x n ASN 30 N 3.72 -1.07 -1.52 3.68 3.02 0.37 -0.54 115.26 122.92 2c3x n ASN 30 Ca 0.06 -0.83 -0.17 0.00 -0.03 0.00 0.00 54.58 53.61 2c3x n ASN 30 Cb 0.49 -1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 2c3x n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3x n GLN 31 N -3.44 -1.27 -0.66 3.52 1.13 -1.26 -4.98 117.38 110.43 2c3x n GLN 31 Ca -0.14 1.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.97 2c3x n GLN 31 Cb 0.40 -5.35 0.00 0.00 0.11 0.00 0.00 30.24 25.40 2c3x n GLN 31 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2c3x n GLY 32 N -0.88 1.75 3.41 1.08 0.00 0.30 -5.03 105.19 105.82 2c3x n GLY 32 Ca -0.18 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.29 2c3x n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3x n ALA 33 N -3.00 -2.65 -1.80 4.61 0.00 -1.26 -4.54 120.51 111.86 2c3x n ALA 33 Ca 0.00 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 2c3x n ALA 33 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 2c3x n ALA 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2c3x s TRP 34 N -1.04 3.36 0.81 0.00 0.52 -1.26 -4.11 118.94 117.22 2c3x s TRP 34 Ca 0.63 1.66 -0.14 0.00 0.02 0.00 0.00 56.10 58.27 2c3x s TRP 34 Cb -0.89 -2.94 0.06 0.00 -1.15 0.00 0.00 33.47 28.55 2c3x s TRP 34 CO 0.57 -0.20 1.03 0.25 0.02 0.00 0.00 176.95 178.61 2c3x n THR 35 N -0.27 1.75 -2.49 2.01 -2.24 -0.23 -4.95 114.28 107.85 2c3x n THR 35 Ca 0.06 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2c3x n THR 35 Cb 0.52 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 2c3x n THR 35 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2c3x s THR 36 N -2.13 4.18 0.47 4.28 -1.32 -1.26 -4.73 115.64 115.12 2c3x s THR 36 Ca 0.70 1.61 -0.24 0.00 -1.21 0.00 0.00 61.69 62.55 2c3x s THR 36 Cb -0.29 -4.03 -0.08 0.00 -1.51 0.00 0.00 72.50 66.59 2c3x s THR 36 CO 0.54 0.15 1.30 0.18 -2.21 0.00 0.00 174.62 174.57 2c3x n LEU 37 N 3.69 4.57 -0.56 9.08 4.77 -1.26 -0.85 117.00 136.44 2c3x n LEU 37 Ca 0.07 1.06 0.02 0.00 -0.03 0.00 0.00 56.01 57.13 2c3x n LEU 37 Cb 0.47 -1.53 0.08 0.00 -2.33 0.00 0.00 43.42 40.11 2c3x n LEU 37 CO 0.55 -0.62 0.46 -0.81 -1.33 0.00 0.00 177.39 175.63 2c3x n PRO 38 N -0.32 1.60 0.00 3.23 -0.04 -1.26 -5.09 135.00 133.12 2c3x n PRO 38 Ca 0.08 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 2c3x n PRO 38 Cb 0.42 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2c3x n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3x n GLY 39 N 0.41 -1.75 3.71 0.55 0.00 -0.03 -4.26 105.19 103.83 2c3x n GLY 39 Ca 0.05 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 2c3x n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3x s VAL 40 N 0.00 5.13 0.25 1.61 1.01 -0.20 -4.85 120.40 123.35 2c3x s VAL 40 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 2c3x s VAL 40 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2c3x s VAL 40 CO 0.00 0.27 1.15 -2.16 0.00 0.00 0.00 175.10 174.37 2c3x s PRO 41 N 0.89 4.56 0.17 2.72 0.04 -1.26 -1.50 135.00 140.62 2c3x s PRO 41 Ca 0.29 1.87 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 2c3x s PRO 41 Cb -0.16 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 2c3x s PRO 41 CO 0.12 0.07 0.78 -0.51 0.04 0.00 0.00 177.00 177.50 2c3x s LEU 42 N -1.10 4.58 0.33 -3.56 2.01 -0.49 -4.90 118.68 115.55 2c3x s LEU 42 Ca 0.48 1.65 -0.04 0.00 0.01 0.00 0.00 54.13 56.22 2c3x s LEU 42 Cb -0.33 -3.33 -0.05 0.00 0.01 0.00 0.00 46.19 42.49 2c3x s LEU 42 CO 0.41 0.19 0.59 -0.89 1.01 0.00 0.00 176.35 177.67 2c3x s THR 43 N -1.18 5.01 0.30 5.49 2.01 -0.37 -4.72 115.64 122.17 2c3x s THR 43 Ca 0.37 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 2c3x s THR 43 Cb -0.23 -3.77 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 2c3x s THR 43 CO 0.26 -0.43 1.51 -0.75 -0.69 0.00 0.00 174.62 174.52 2c3x s LYS 44 N -3.83 4.17 0.45 4.92 2.20 -1.26 -0.70 119.74 125.68 2c3x s LYS 44 Ca 0.44 2.48 0.07 0.00 -0.36 0.00 0.00 55.97 58.60 2c3x s LYS 44 Cb -0.10 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2c3x s LYS 44 CO 0.33 -0.53 0.33 -1.54 -0.36 0.00 0.00 175.35 173.57 2c3x s SER 45 N 0.26 4.76 0.00 1.43 1.04 -1.01 -4.78 113.70 115.40 2c3x s SER 45 Ca 0.59 -0.96 0.15 0.00 0.48 0.00 0.00 55.95 56.20 2c3x s SER 45 Cb -0.45 -0.31 0.88 0.00 0.10 0.00 0.00 66.02 66.23 2c3x s SER 45 CO 0.50 -0.73 1.42 -1.84 0.98 0.00 0.00 173.24 173.57 2c3x n GLU 46 N -1.51 0.79 -4.04 4.02 0.00 -1.26 -4.63 120.64 114.02 2c3x n GLU 46 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.86 2c3x n GLU 46 Cb 0.63 -1.29 -0.16 0.00 0.00 0.00 0.00 31.44 30.62 2c3x n GLU 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2c3x s TYR 47 N -2.00 2.54 -0.44 -1.84 2.02 -1.26 -5.08 117.35 111.29 2c3x s TYR 47 Ca 0.22 -1.61 -0.43 0.00 -0.37 0.00 0.00 57.07 54.88 2c3x s TYR 47 Cb 0.10 -1.73 -0.18 0.00 -0.40 0.00 0.00 41.96 39.75 2c3x s TYR 47 CO 0.17 -0.76 1.45 -1.91 -1.57 0.00 0.00 175.55 172.93 2c3x n GLU 48 N 4.66 0.00 -0.88 -0.62 2.13 -1.26 -0.48 120.64 124.19 2c3x n GLU 48 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2c3x n GLU 48 Cb 0.48 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.80 2c3x n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3x n GLY 49 N 3.58 0.72 3.40 8.31 0.00 -1.26 -5.03 105.19 114.90 2c3x n GLY 49 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 2c3x n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c3x s TYR 50 N -2.75 2.38 0.30 1.61 1.51 0.37 -1.57 117.35 119.20 2c3x s TYR 50 Ca 0.00 -0.36 0.10 0.00 -1.01 0.00 0.00 57.07 55.80 2c3x s TYR 50 Cb 0.00 -1.35 -0.05 0.00 -0.11 0.00 0.00 41.96 40.45 2c3x s TYR 50 CO 0.00 0.25 -0.06 0.14 -1.11 0.00 0.00 175.55 174.77 2c3x s VAL 51 N -0.95 2.85 0.01 0.71 -7.23 0.33 -2.41 120.40 113.72 2c3x s VAL 51 Ca 0.14 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2c3x s VAL 51 Cb -0.10 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 2c3x s VAL 51 CO 0.05 -0.32 -0.00 -1.59 -0.31 0.00 0.00 175.10 172.92 2c3x s LYS 52 N -3.64 0.27 0.04 4.82 -2.85 0.12 -0.18 119.74 118.32 2c3x s LYS 52 Ca 0.32 -0.47 -0.00 0.00 -1.00 0.00 0.00 55.97 54.81 2c3x s LYS 52 Cb -0.04 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 2c3x s LYS 52 CO 0.18 -0.05 -0.03 0.54 0.10 0.00 0.00 175.35 176.09 2c3x s VAL 53 N -1.19 0.21 -0.21 1.79 0.11 -0.60 -1.24 120.40 119.27 2c3x s VAL 53 Ca -0.13 -1.39 0.01 0.00 -2.93 0.00 0.00 61.98 57.54 2c3x s VAL 53 Cb -0.08 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2c3x s VAL 53 CO -0.01 -0.75 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.03 2c3x s THR 54 N -2.72 1.70 -0.23 5.04 2.01 -1.26 -0.84 115.64 119.34 2c3x s THR 54 Ca -0.04 -1.12 -0.15 0.00 0.31 0.00 0.00 61.69 60.70 2c3x s THR 54 Cb -0.01 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2c3x s THR 54 CO -0.05 0.11 0.36 -0.63 -0.69 0.00 0.00 174.62 173.71 2c3x s ILE 55 N 1.36 5.21 0.13 1.82 1.01 0.26 -4.94 121.20 126.05 2c3x s ILE 55 Ca -0.03 0.60 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 2c3x s ILE 55 Cb -0.17 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 2c3x s ILE 55 CO -0.08 0.24 1.34 -1.61 0.00 0.00 0.00 174.94 174.83 2c3x s GLU 56 N 1.50 4.36 -0.04 2.79 2.02 -1.26 0.02 118.70 128.09 2c3x s GLU 56 Ca 0.16 2.03 -0.28 0.00 0.02 0.00 0.00 54.97 56.91 2c3x s GLU 56 Cb -0.15 -3.24 0.06 0.00 0.10 0.00 0.00 34.13 30.90 2c3x s GLU 56 CO 0.08 -0.36 0.61 0.00 0.02 0.00 0.00 175.26 175.61 2c3x s ALA 57 N 0.79 -1.57 0.78 5.21 0.00 -1.26 -4.86 121.76 120.84 2c3x s ALA 57 Ca 0.61 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 2c3x s ALA 57 Cb -0.36 0.04 0.07 0.00 0.00 0.00 0.00 23.12 22.88 2c3x s ALA 57 CO 0.32 -0.36 1.12 -1.21 0.00 0.00 0.00 175.76 175.64 2c3x s GLU 58 N -1.30 2.03 0.30 0.00 2.02 -1.26 -3.71 118.70 116.78 2c3x s GLU 58 Ca -0.11 -0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 2c3x s GLU 58 Cb -0.01 -2.02 -0.13 0.00 0.10 0.00 0.00 34.13 32.06 2c3x s GLU 58 CO 0.08 -1.48 1.15 -1.91 0.02 0.00 0.00 175.26 173.11 2c3x n GLU 59 N -3.19 1.66 -2.37 1.61 2.13 -1.26 -2.80 120.64 116.42 2c3x n GLU 59 Ca 0.08 0.58 -0.15 0.00 0.66 0.00 0.00 57.16 58.33 2c3x n GLU 59 Cb 0.61 -2.06 -0.00 0.00 0.27 0.00 0.00 31.44 30.26 2c3x n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3x n GLY 60 N 1.19 -0.23 3.87 8.31 0.00 -1.26 -5.01 105.19 112.06 2c3x n GLY 60 Ca 0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2c3x n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3x s SER 61 N -2.41 6.47 -0.02 1.61 0.01 -1.12 -4.96 113.70 113.27 2c3x s SER 61 Ca 0.04 1.20 -0.01 0.00 1.31 0.00 0.00 55.95 58.49 2c3x s SER 61 Cb -0.02 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.87 2c3x s SER 61 CO 0.05 -0.50 0.05 -1.58 0.41 0.00 0.00 173.24 171.66 2c3x s GLN 62 N -4.14 0.03 0.19 12.44 2.00 -1.26 -2.29 119.66 126.62 2c3x s GLN 62 Ca 0.52 0.12 0.11 0.00 -2.00 0.00 0.00 55.36 54.11 2c3x s GLN 62 Cb -0.10 -0.07 -0.04 0.00 0.80 0.00 0.00 33.01 33.60 2c3x s GLN 62 CO 0.35 -0.06 -0.22 -0.48 -0.50 0.00 0.00 175.29 174.38 2c3x s LEU 63 N 0.41 2.44 -0.21 3.68 0.05 -0.19 -0.48 118.68 124.38 2c3x s LEU 63 Ca -0.03 -0.87 -0.08 0.00 0.05 0.00 0.00 54.13 53.20 2c3x s LEU 63 Cb -0.05 -1.07 -0.04 0.00 -2.05 0.00 0.00 46.19 42.98 2c3x s LEU 63 CO -0.01 0.08 0.08 -0.13 -0.55 0.00 0.00 176.35 175.81 2c3x s ARG 64 N -2.72 3.89 0.08 1.48 0.52 -0.98 -1.45 118.95 119.78 2c3x s ARG 64 Ca 0.19 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.08 2c3x s ARG 64 Cb -0.07 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 2c3x s ARG 64 CO 0.09 0.11 -0.15 0.00 0.02 0.00 0.00 175.30 175.37 2c3x s ALA 65 N 0.83 1.28 0.08 2.13 0.00 0.11 -0.63 121.76 125.57 2c3x s ALA 65 Ca 0.04 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2c3x s ALA 65 Cb -0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2c3x s ALA 65 CO 0.02 0.16 -0.14 0.00 0.00 0.00 0.00 175.76 175.81 2c3x s ALA 66 N -1.46 1.25 0.09 0.00 0.00 -0.54 -0.10 121.76 121.00 2c3x s ALA 66 Ca 0.01 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.96 2c3x s ALA 66 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2c3x s ALA 66 CO 0.02 0.14 -0.11 -0.06 0.00 0.00 0.00 175.76 175.76 2c3x s PHE 67 N -1.54 2.73 0.25 0.00 0.08 -0.38 -0.91 117.98 118.21 2c3x s PHE 67 Ca 0.01 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 2c3x s PHE 67 Cb -0.08 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2c3x s PHE 67 CO 0.02 0.41 0.31 0.54 -0.10 0.00 0.00 175.22 176.40 2c3x s ASN 68 N -2.10 0.38 -0.15 1.36 2.20 0.12 0.12 114.94 116.87 2c3x s ASN 68 Ca 0.20 -1.31 0.08 0.00 -0.94 0.00 0.00 52.86 50.89 2c3x s ASN 68 Cb -0.11 0.51 0.49 0.00 -2.00 0.00 0.00 41.25 40.14 2c3x s ASN 68 CO 0.12 -1.03 1.27 -0.46 -2.94 0.00 0.00 177.10 174.07 2c3x n ASN 69 N -0.64 3.83 -0.03 3.54 2.04 -0.65 -0.87 115.26 122.48 2c3x n ASN 69 Ca 0.01 -2.59 -0.00 0.00 -0.44 0.00 0.00 54.58 51.56 2c3x n ASN 69 Cb 0.64 -0.62 -0.00 0.00 -2.53 0.00 0.00 39.78 37.26 2c3x n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2c3x n GLY 70 N 0.32 0.43 0.22 4.83 0.00 -1.13 -4.46 105.19 105.40 2c3x n GLY 70 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2c3x n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2c3x n SER 71 N -0.04 0.00 0.00 1.61 2.88 -1.26 -4.90 113.62 111.91 2c3x n SER 71 Ca -0.00 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 2c3x n SER 71 Cb 0.11 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2c3x n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2c3x n GLY 72 N 0.00 1.34 3.58 0.46 0.00 -1.26 -5.00 105.19 104.31 2c3x n GLY 72 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2c3x n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c3x s GLN 73 N -0.89 3.25 0.10 1.61 2.00 -1.26 -5.00 119.66 119.46 2c3x s GLN 73 Ca 0.00 0.62 0.03 0.00 -2.00 0.00 0.00 55.36 54.02 2c3x s GLN 73 Cb 0.00 -4.16 -0.04 0.00 0.80 0.00 0.00 33.01 29.61 2c3x s GLN 73 CO 0.00 -1.99 0.10 -1.58 -0.50 0.00 0.00 175.29 171.32 2c3x s TRP 74 N 6.47 3.21 -0.41 1.67 0.52 -1.26 -1.64 118.94 127.50 2c3x s TRP 74 Ca 0.58 0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.74 2c3x s TRP 74 Cb -0.12 -1.61 0.11 0.00 -1.15 0.00 0.00 33.47 30.70 2c3x s TRP 74 CO 0.26 0.53 0.21 0.34 0.02 0.00 0.00 176.95 178.30 2c3x s ASP 75 N -2.56 5.27 -0.18 2.95 2.15 0.33 -4.97 116.67 119.67 2c3x s ASP 75 Ca 0.30 -2.01 0.14 0.00 0.43 0.00 0.00 52.55 51.40 2c3x s ASP 75 Cb -0.12 -1.84 0.42 0.00 -0.30 0.00 0.00 42.92 41.09 2c3x s ASP 75 CO 0.23 -0.55 1.21 -0.46 -0.17 0.00 0.00 175.17 175.43 2c3x n ASN 76 N 4.61 1.69 -3.50 -0.34 0.23 -1.26 -1.24 115.26 115.45 2c3x n ASN 76 Ca -0.03 -3.55 -0.21 0.00 -0.53 0.00 0.00 54.58 50.27 2c3x n ASN 76 Cb 0.41 -0.48 0.06 0.00 -2.08 0.00 0.00 39.78 37.69 2c3x n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2c3x n ASN 77 N -0.82 -4.06 -4.17 0.53 5.15 -1.26 -0.37 115.26 110.25 2c3x n ASN 77 Ca 0.17 -0.79 -0.34 0.00 -0.60 0.00 0.00 54.58 53.02 2c3x n ASN 77 Cb 0.78 -4.48 -0.03 0.00 -0.53 0.00 0.00 39.78 35.53 2c3x n ASN 77 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2c3x n GLN 78 N -3.88 -3.12 0.00 1.20 6.02 -1.26 -1.53 117.38 114.81 2c3x n GLN 78 Ca -0.18 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2c3x n GLN 78 Cb 0.64 -4.92 0.00 0.00 1.02 0.00 0.00 30.24 26.97 2c3x n GLN 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3x n GLY 79 N -1.57 1.99 0.05 1.08 0.00 -0.65 -4.86 105.19 101.23 2c3x n GLY 79 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2c3x n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3x n ARG 80 N -2.00 0.23 -1.15 1.61 1.74 -0.58 -5.07 116.66 111.44 2c3x n ARG 80 Ca 0.00 0.06 0.14 0.00 -0.77 0.00 0.00 57.85 57.29 2c3x n ARG 80 Cb 0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 2c3x n ARG 80 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2c3x n ASP 81 N -1.98 -6.68 -4.84 0.55 8.00 0.50 -4.92 116.55 107.18 2c3x n ASP 81 Ca 0.04 0.94 -0.36 0.00 0.71 0.00 0.00 54.79 56.11 2c3x n ASP 81 Cb 0.42 -3.80 -0.07 0.00 -0.02 0.00 0.00 41.12 37.65 2c3x n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2c3x s TYR 82 N -3.36 3.53 -0.16 1.24 2.02 0.86 -4.77 117.35 116.71 2c3x s TYR 82 Ca 0.00 0.46 -0.08 0.00 -0.37 0.00 0.00 57.07 57.08 2c3x s TYR 82 Cb 0.00 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 2c3x s TYR 82 CO 0.00 0.64 0.12 -0.51 -1.57 0.00 0.00 175.55 174.22 2c3x s ASP 83 N -0.79 6.14 0.05 2.29 1.01 -1.26 0.04 116.67 124.15 2c3x s ASP 83 Ca 0.14 0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.75 2c3x s ASP 83 Cb -0.12 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 2c3x s ASP 83 CO 0.03 0.29 -0.15 -0.36 0.21 0.00 0.00 175.17 175.18 2c3x s PHE 84 N -0.30 1.33 0.27 4.23 0.08 -0.53 -5.00 117.98 118.05 2c3x s PHE 84 Ca 0.11 -0.38 0.09 0.00 0.12 0.00 0.00 56.93 56.86 2c3x s PHE 84 Cb -0.12 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 2c3x s PHE 84 CO 0.01 0.06 0.07 -1.12 -0.10 0.00 0.00 175.22 174.13 2c3x s SER 85 N -1.31 4.85 0.10 1.36 0.01 -1.26 -1.02 113.70 116.44 2c3x s SER 85 Ca 0.02 -0.53 -0.25 0.00 1.31 0.00 0.00 55.95 56.50 2c3x s SER 85 Cb -0.08 -1.01 -0.14 0.00 0.21 0.00 0.00 66.02 65.00 2c3x s SER 85 CO 0.02 -0.03 0.54 -1.20 0.41 0.00 0.00 173.24 172.98 2c3x n SER 86 N -1.00 -0.64 0.00 2.44 7.64 -0.97 -4.77 113.62 116.32 2c3x n SER 86 Ca -0.07 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.69 2c3x n SER 86 Cb 0.59 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2c3x n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3x n GLY 87 N 1.41 1.19 3.81 0.23 0.00 0.58 -4.80 105.19 107.61 2c3x n GLY 87 Ca 0.14 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 2c3x n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3x s VAL 88 N -1.24 4.54 -0.00 1.61 1.01 -1.26 -0.42 120.40 124.64 2c3x s VAL 88 Ca 0.00 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.11 2c3x s VAL 88 Cb 0.00 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2c3x s VAL 88 CO 0.00 0.21 0.40 -1.00 0.00 0.00 0.00 175.10 174.71 2c3x s HIS 89 N -1.53 -0.29 -0.10 5.22 4.02 -0.34 -1.81 115.29 120.47 2c3x s HIS 89 Ca 0.43 0.41 0.03 0.00 1.02 0.00 0.00 55.06 56.95 2c3x s HIS 89 Cb -0.17 0.18 -0.00 0.00 -1.02 0.00 0.00 32.58 31.57 2c3x s HIS 89 CO 0.21 -0.48 -0.21 0.99 1.02 0.00 0.00 174.74 176.27 2c3x s THR 90 N -1.63 2.33 -0.34 1.30 2.01 0.73 -0.03 115.64 120.00 2c3x s THR 90 Ca -0.11 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.87 2c3x s THR 90 Cb -0.03 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.58 2c3x s THR 90 CO 0.03 0.55 0.17 -0.22 -0.69 0.00 0.00 174.62 174.46 2c3x s LEU 91 N 0.30 4.36 -0.12 4.42 2.96 0.10 -1.12 118.68 129.60 2c3x s LEU 91 Ca -0.16 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.96 2c3x s LEU 91 Cb -0.17 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2c3x s LEU 91 CO 0.08 -0.29 -0.10 0.00 -1.32 0.00 0.00 176.35 174.72 2c3x s ALA 92 N 1.56 1.46 -1.31 5.97 0.00 -0.33 -1.21 121.76 127.90 2c3x s ALA 92 Ca 0.03 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 2c3x s ALA 92 Cb -0.18 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2c3x s ALA 92 CO 0.06 -0.33 0.50 -0.25 0.00 0.00 0.00 175.76 175.74 2c3x n ASP 93 N 4.74 -2.54 0.00 0.00 8.00 -1.26 -0.83 116.55 124.66 2c3x n ASP 93 Ca -0.15 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2c3x n ASP 93 Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.43 2c3x n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c3x n GLY 94 N -2.12 1.38 3.14 0.44 0.00 -1.26 -5.02 105.19 101.74 2c3x n GLY 94 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2c3x n GLY 94 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c3x s ARG 95 N -0.63 2.78 -0.05 1.61 3.52 -0.01 -5.06 118.95 121.12 2c3x s ARG 95 Ca 0.00 -0.77 -0.19 0.00 -0.13 0.00 0.00 55.73 54.65 2c3x s ARG 95 Cb 0.00 -2.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.08 2c3x s ARG 95 CO 0.00 -0.02 0.52 0.42 -0.81 0.00 0.00 175.30 175.41 2c3x s ILE 96 N 0.84 5.03 0.07 4.11 1.01 -1.26 -1.19 121.20 129.82 2c3x s ILE 96 Ca -0.07 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.66 2c3x s ILE 96 Cb -0.15 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2c3x s ILE 96 CO -0.01 0.41 -0.08 -0.76 0.00 0.00 0.00 174.94 174.51 2c3x s LEU 97 N -0.06 2.36 0.59 2.97 1.43 -0.27 -4.97 118.68 120.73 2c3x s LEU 97 Ca 0.28 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 2c3x s LEU 97 Cb -0.17 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 2c3x s LEU 97 CO 0.14 -0.30 0.97 -0.94 0.23 0.00 0.00 176.35 176.45 2c3x s SER 98 N -2.18 6.13 0.11 2.29 1.04 -1.26 -0.19 113.70 119.64 2c3x s SER 98 Ca -0.01 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2c3x s SER 98 Cb -0.04 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2c3x s SER 98 CO -0.02 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2c3x n GLY 99 N -2.65 -2.00 3.91 7.32 0.00 -0.75 -4.69 105.19 106.33 2c3x n GLY 99 Ca 0.05 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 2c3x n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3x s THR 100 N -0.13 3.34 0.41 2.61 -4.23 -1.26 -2.71 115.64 113.67 2c3x s THR 100 Ca 0.00 0.05 -0.24 0.00 -1.18 0.00 0.00 61.69 60.32 2c3x s THR 100 Cb 0.00 -3.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.36 2c3x s THR 100 CO 0.00 -0.41 0.81 -2.65 -0.54 0.00 0.00 174.62 171.84 2c3x n PRO 101 N -2.74 0.98 0.00 3.99 -0.02 -1.26 -4.86 135.00 131.09 2c3x n PRO 101 Ca 0.06 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2c3x n PRO 101 Cb 0.58 -1.78 0.10 0.00 -0.02 0.00 0.00 33.50 32.37 2c3x n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11