#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3x n THR 10 N 0.00 0.00 -1.14 0.00 5.66 -1.26 -4.18 114.28 113.35 2c3x n THR 10 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 2c3x n THR 10 Cb 0.00 -0.29 0.16 0.00 -1.55 0.00 0.00 70.33 68.65 2c3x n THR 10 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2c3x s ASP 11 N 0.63 2.92 -0.31 1.09 -0.00 -1.25 -4.35 116.67 115.40 2c3x s ASP 11 Ca 0.00 1.36 -0.07 0.00 -0.00 0.00 0.00 52.55 53.84 2c3x s ASP 11 Cb 0.00 -2.03 0.02 0.00 -0.00 0.00 0.00 42.92 40.91 2c3x s ASP 11 CO 0.00 -2.97 0.10 -0.63 -0.00 0.00 0.00 175.17 171.67 2c3x s ILE 12 N -2.92 3.96 -0.15 0.77 1.01 0.04 -1.02 121.20 122.88 2c3x s ILE 12 Ca 0.65 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 2c3x s ILE 12 Cb -0.19 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 2c3x s ILE 12 CO 0.58 -0.02 -0.09 -0.89 0.00 0.00 0.00 174.94 174.51 2c3x s THR 13 N 1.47 3.31 -0.08 2.92 2.01 -0.59 0.34 115.64 125.02 2c3x s THR 13 Ca 0.01 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2c3x s THR 13 Cb -0.18 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2c3x s THR 13 CO 0.03 0.50 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 2c3x s ILE 14 N 0.55 1.67 -0.19 1.82 1.01 0.50 -1.06 121.20 125.50 2c3x s ILE 14 Ca -0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 2c3x s ILE 14 Cb -0.15 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 2c3x s ILE 14 CO 0.03 0.47 0.09 -0.31 0.00 0.00 0.00 174.94 175.22 2c3x s TYR 15 N 0.43 3.32 -0.07 3.97 2.02 0.13 -0.92 117.35 126.22 2c3x s TYR 15 Ca -0.16 0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2c3x s TYR 15 Cb -0.17 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2c3x s TYR 15 CO 0.06 0.23 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.63 2c3x s TYR 16 N 0.31 1.84 -0.24 2.71 5.04 0.95 -0.19 117.35 127.78 2c3x s TYR 16 Ca 0.05 -0.68 -0.22 0.00 -2.44 0.00 0.00 57.07 53.79 2c3x s TYR 16 Cb -0.12 -1.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.90 2c3x s TYR 16 CO -0.01 -0.29 0.69 0.21 -1.34 0.00 0.00 175.55 174.81 2c3x s LYS 17 N 0.42 4.15 -0.11 4.97 2.20 0.01 0.57 119.74 131.95 2c3x s LYS 17 Ca -0.13 0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 2c3x s LYS 17 Cb -0.15 -3.63 0.07 0.00 -1.51 0.00 0.00 37.83 32.60 2c3x s LYS 17 CO 0.05 -0.41 0.70 -0.08 -0.36 0.00 0.00 175.35 175.25 2c3x s THR 18 N 2.48 0.00 -0.67 3.43 -1.32 -0.34 -4.67 115.64 114.55 2c3x s THR 18 Ca 0.29 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.02 2c3x s THR 18 Cb -0.16 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.98 2c3x s THR 18 CO 0.09 0.00 1.51 0.61 -2.21 0.00 0.00 174.62 174.61 2c3x n GLY 19 N 1.41 -1.54 3.73 6.08 0.00 -1.26 -4.66 105.19 108.95 2c3x n GLY 19 Ca -0.17 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.19 2.46 0.09 1.61 8.01 -1.26 -4.95 117.44 121.22 2c3x n TRP 20 Ca 0.04 0.47 0.08 0.00 -1.31 0.00 0.00 57.50 56.79 2c3x n TRP 20 Cb 0.44 -2.43 -0.01 0.00 -2.01 0.00 0.00 31.31 27.29 2c3x n TRP 20 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 2c3x h THR 21 N 2.30 0.16 -2.09 -0.99 2.02 -1.94 -3.38 112.91 108.98 2c3x h THR 21 Ca -0.49 -1.30 -0.53 0.00 0.77 0.00 0.00 66.41 64.86 2c3x h THR 21 Cb 1.28 1.69 -0.41 0.00 -1.74 0.00 0.00 68.15 68.97 2c3x h THR 21 CO 0.61 0.09 -0.96 1.41 0.37 0.00 0.00 175.52 177.04 2c3x n HIS 22 N -2.77 1.90 -2.14 3.16 8.25 -1.26 -5.11 115.22 117.25 2c3x n HIS 22 Ca -0.02 -3.86 -0.41 0.00 -0.26 0.00 0.00 57.72 53.17 2c3x n HIS 22 Cb 0.63 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.91 4.37 0.10 -0.41 0.04 -1.26 -3.24 135.00 131.69 2c3x s PRO 23 Ca 0.44 2.17 0.08 0.00 0.04 0.00 0.00 61.00 63.73 2c3x s PRO 23 Cb 0.32 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 2c3x s PRO 23 CO -0.10 -0.21 -0.21 -1.01 0.04 0.00 0.00 177.00 175.50 2c3x s HIS 24 N -0.69 1.83 -0.20 0.56 3.76 0.19 -1.53 115.29 119.22 2c3x s HIS 24 Ca 0.52 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.96 2c3x s HIS 24 Cb -0.39 -1.01 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 2c3x s HIS 24 CO 0.47 0.20 0.04 -1.50 -0.85 0.00 0.00 174.74 173.11 2c3x s ILE 25 N -1.12 4.40 -0.18 0.60 2.07 0.75 -0.89 121.20 126.83 2c3x s ILE 25 Ca 0.07 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2c3x s ILE 25 Cb -0.10 -3.00 0.00 0.00 0.13 0.00 0.00 42.46 39.50 2c3x s ILE 25 CO 0.04 0.43 -0.13 -2.28 -1.91 0.00 0.00 174.94 171.09 2c3x s HIS 26 N 0.78 2.84 0.18 3.50 5.65 0.85 0.55 115.29 129.64 2c3x s HIS 26 Ca 0.02 -1.18 -0.11 0.00 0.25 0.00 0.00 55.06 54.04 2c3x s HIS 26 Cb -0.14 -1.97 -0.00 0.00 -1.18 0.00 0.00 32.58 29.29 2c3x s HIS 26 CO 0.02 -0.60 0.34 1.52 -0.65 0.00 0.00 174.74 175.38 2c3x s TYR 27 N 1.18 0.31 -0.19 3.88 -0.85 -1.26 0.55 117.35 120.97 2c3x s TYR 27 Ca 0.02 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 55.89 2c3x s TYR 27 Cb -0.14 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.24 2c3x s TYR 27 CO -0.05 -0.78 -0.12 0.45 -1.52 0.00 0.00 175.55 173.53 2c3x s SER 28 N -2.96 3.75 -0.18 -0.18 0.15 0.46 -1.12 113.70 113.63 2c3x s SER 28 Ca 0.16 -0.49 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 2c3x s SER 28 Cb 0.02 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.68 2c3x s SER 28 CO 0.00 0.02 0.35 -0.22 1.20 0.00 0.00 173.24 174.59 2c3x s LEU 29 N 1.24 4.20 -1.54 3.45 2.96 -1.26 -1.81 118.68 125.93 2c3x s LEU 29 Ca 0.03 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 2c3x s LEU 29 Cb -0.14 -2.46 0.08 0.00 0.50 0.00 0.00 46.19 44.18 2c3x s LEU 29 CO -0.06 0.01 0.81 0.59 -1.32 0.00 0.00 176.35 176.38 2c3x n ASN 30 N 4.02 -3.25 -0.16 3.68 3.02 0.95 -1.94 115.26 121.59 2c3x n ASN 30 Ca -0.10 -0.89 -0.02 0.00 -0.03 0.00 0.00 54.58 53.54 2c3x n ASN 30 Cb 0.51 -3.45 -0.01 0.00 -0.61 0.00 0.00 39.78 36.22 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 -4.51 -0.21 -0.09 3.52 3.00 -1.26 -4.99 117.38 112.84 2c3x n GLN 31 Ca -0.04 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2c3x n GLN 31 Cb 0.56 -3.98 0.00 0.00 0.00 0.00 0.00 30.24 26.82 2c3x n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2c3x n GLY 32 N -2.61 4.24 3.69 1.08 0.00 -0.82 -5.07 105.19 105.70 2c3x n GLY 32 Ca -0.02 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 1.11 -1.77 4.61 0.00 -1.26 -4.47 120.51 115.72 2c3x n ALA 33 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 2c3x n ALA 33 Cb 0.00 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 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 -1.22 3.50 0.52 0.00 0.52 -1.26 -4.13 118.94 116.87 2c3x s TRP 34 Ca 0.62 1.71 -0.22 0.00 0.02 0.00 0.00 56.10 58.22 2c3x s TRP 34 Cb -0.51 -3.17 -0.06 0.00 -1.15 0.00 0.00 33.47 28.58 2c3x s TRP 34 CO 0.57 -0.43 1.32 0.25 0.02 0.00 0.00 176.95 178.68 2c3x n THR 35 N 0.67 3.51 -1.68 2.01 -2.24 -0.27 -4.86 114.28 111.42 2c3x n THR 35 Ca 0.01 -0.50 -0.44 0.00 -2.27 0.00 0.00 64.05 60.86 2c3x n THR 35 Cb 0.47 -1.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.05 2c3x n THR 35 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2c3x n THR 36 N -0.88 0.54 -2.81 4.28 5.66 -1.26 -4.70 114.28 115.12 2c3x n THR 36 Ca 0.10 -0.10 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 2c3x n THR 36 Cb 0.44 -2.11 -0.07 0.00 -1.55 0.00 0.00 70.33 67.04 2c3x n THR 36 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2c3x s LEU 37 N 3.56 3.93 0.00 1.09 0.05 -1.26 -2.04 118.68 124.01 2c3x s LEU 37 Ca 0.87 1.66 0.10 0.00 0.05 0.00 0.00 54.13 56.80 2c3x s LEU 37 Cb -0.52 -4.51 0.49 0.00 -2.05 0.00 0.00 46.19 39.60 2c3x s LEU 37 CO 0.42 -0.37 1.33 -0.81 -0.55 0.00 0.00 176.35 176.38 2c3x n PRO 38 N -0.68 1.16 0.00 1.48 -0.04 -1.26 -5.11 135.00 130.55 2c3x n PRO 38 Ca 0.07 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2c3x n PRO 38 Cb 0.54 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.73 -1.64 3.71 0.55 0.00 -0.87 -4.22 105.19 103.45 2c3x n GLY 39 Ca 0.08 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 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 5.18 0.16 1.61 1.01 0.19 -4.79 120.40 123.76 2c3x s VAL 40 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 61.98 62.56 2c3x s VAL 40 Cb 0.00 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 2c3x s VAL 40 CO 0.00 0.30 1.64 -2.84 0.00 0.00 0.00 175.10 174.20 2c3x s PRO 41 N 0.86 4.18 0.53 2.72 0.02 -1.26 -0.18 135.00 141.87 2c3x s PRO 41 Ca 0.24 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.58 2c3x s PRO 41 Cb -0.15 -3.24 -0.06 0.00 0.02 0.00 0.00 34.50 31.08 2c3x s PRO 41 CO 0.09 -0.68 0.93 -0.51 -0.33 0.00 0.00 177.00 176.50 2c3x s LEU 42 N 1.51 3.52 0.27 -5.54 2.01 -0.58 -4.90 118.68 114.97 2c3x s LEU 42 Ca 0.73 1.34 0.10 0.00 0.01 0.00 0.00 54.13 56.30 2c3x s LEU 42 Cb -0.45 -4.31 -0.04 0.00 0.01 0.00 0.00 46.19 41.40 2c3x s LEU 42 CO 0.32 -0.65 -0.04 -0.89 1.01 0.00 0.00 176.35 176.10 2c3x s THR 43 N -2.79 3.28 0.16 5.49 2.01 0.25 -4.76 115.64 119.27 2c3x s THR 43 Ca 0.54 -1.99 -0.34 0.00 0.31 0.00 0.00 61.69 60.21 2c3x s THR 43 Cb -0.10 -2.74 -0.15 0.00 0.01 0.00 0.00 72.50 69.51 2c3x s THR 43 CO 0.41 -0.37 1.34 1.17 -0.69 0.00 0.00 174.62 176.48 2c3x n LYS 44 N -0.83 1.51 -3.39 4.92 3.00 -1.26 0.20 118.16 122.30 2c3x n LYS 44 Ca -0.06 0.54 -0.21 0.00 -0.00 0.00 0.00 58.31 58.57 2c3x n LYS 44 Cb 0.59 -2.16 0.01 0.00 0.00 0.00 0.00 35.03 33.47 2c3x n LYS 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2c3x s SER 45 N 0.37 5.05 0.19 3.14 1.04 -1.13 -4.70 113.70 117.66 2c3x s SER 45 Ca 0.77 -0.86 0.16 0.00 0.48 0.00 0.00 55.95 56.49 2c3x s SER 45 Cb -0.81 -0.05 0.77 0.00 0.10 0.00 0.00 66.02 66.03 2c3x s SER 45 CO 0.47 -1.01 1.48 -0.62 0.98 0.00 0.00 173.24 174.54 2c3x n GLU 46 N -1.88 0.10 -4.34 4.02 4.71 -1.26 -4.75 120.64 117.24 2c3x n GLU 46 Ca 0.07 0.52 -0.26 0.00 -0.01 0.00 0.00 57.16 57.47 2c3x n GLU 46 Cb 0.62 -1.77 -0.10 0.00 -1.01 0.00 0.00 31.44 29.18 2c3x n GLU 46 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2c3x s TYR 47 N -3.30 2.53 -0.07 -0.32 2.02 -1.26 -5.08 117.35 111.86 2c3x s TYR 47 Ca 0.01 -0.26 -0.26 0.00 -0.37 0.00 0.00 57.07 56.18 2c3x s TYR 47 Cb 0.06 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2c3x s TYR 47 CO 0.19 0.53 0.81 -2.00 -1.57 0.00 0.00 175.55 173.51 2c3x s GLU 48 N -2.88 4.44 0.00 -0.62 2.56 -1.26 -3.10 118.70 117.83 2c3x s GLU 48 Ca 0.24 1.07 0.00 0.00 0.00 0.00 0.00 54.97 56.28 2c3x s GLU 48 Cb -0.08 -3.48 0.00 0.00 2.00 0.00 0.00 34.13 32.57 2c3x s GLU 48 CO 0.14 -0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 2c3x n GLY 49 N 3.13 0.53 3.62 -1.50 0.00 -1.26 -5.01 105.19 104.71 2c3x n GLY 49 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.33 2.94 0.45 1.61 1.51 -1.18 -1.20 117.35 119.15 2c3x s TYR 50 Ca 0.00 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 2c3x s TYR 50 Cb 0.00 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2c3x s TYR 50 CO 0.00 0.40 0.21 0.14 -1.11 0.00 0.00 175.55 175.20 2c3x s VAL 51 N -1.03 2.07 0.06 0.71 -7.23 0.19 -2.82 120.40 112.36 2c3x s VAL 51 Ca 0.18 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 2c3x s VAL 51 Cb -0.11 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 2c3x s VAL 51 CO 0.09 0.00 0.17 -1.59 -0.31 0.00 0.00 175.10 173.46 2c3x s LYS 52 N -3.99 0.75 0.02 4.82 -2.85 0.13 -0.03 119.74 118.60 2c3x s LYS 52 Ca 0.36 -0.82 -0.26 0.00 -1.00 0.00 0.00 55.97 54.25 2c3x s LYS 52 Cb 0.02 0.31 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2c3x s LYS 52 CO 0.20 -0.22 0.60 0.54 0.10 0.00 0.00 175.35 176.57 2c3x s VAL 53 N -3.25 0.01 -0.20 1.79 0.11 -0.10 -0.59 120.40 118.17 2c3x s VAL 53 Ca 0.00 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2c3x s VAL 53 Cb 0.02 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2c3x s VAL 53 CO -0.08 -0.05 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.60 2c3x s THR 54 N -2.11 2.37 -0.21 5.04 2.01 -1.26 -0.37 115.64 121.11 2c3x s THR 54 Ca -0.07 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.84 2c3x s THR 54 Cb -0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 2c3x s THR 54 CO 0.01 0.44 0.40 -0.63 -0.69 0.00 0.00 174.62 174.15 2c3x s ILE 55 N 1.31 5.19 0.30 1.82 1.09 0.15 -4.95 121.20 126.11 2c3x s ILE 55 Ca 0.03 0.70 -0.29 0.00 -1.10 0.00 0.00 60.65 59.99 2c3x s ILE 55 Cb -0.14 -3.73 -0.10 0.00 -1.06 0.00 0.00 42.46 37.43 2c3x s ILE 55 CO -0.10 0.23 1.17 -1.61 -0.10 0.00 0.00 174.94 174.54 2c3x s GLU 56 N 1.43 4.54 0.00 2.79 2.02 -1.26 -0.78 118.70 127.43 2c3x s GLU 56 Ca 0.19 1.95 -0.25 0.00 0.02 0.00 0.00 54.97 56.88 2c3x s GLU 56 Cb -0.15 -3.15 0.06 0.00 0.10 0.00 0.00 34.13 30.99 2c3x s GLU 56 CO 0.08 0.07 0.57 0.00 0.02 0.00 0.00 175.26 176.00 2c3x s ALA 57 N -1.13 -1.46 0.93 5.21 0.00 -1.26 -4.83 121.76 119.21 2c3x s ALA 57 Ca 0.46 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 2c3x s ALA 57 Cb -0.35 0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.13 2c3x s ALA 57 CO 0.45 -0.43 1.20 -1.21 0.00 0.00 0.00 175.76 175.77 2c3x s GLU 58 N -1.82 0.99 0.29 0.00 2.02 -1.26 -3.75 118.70 115.17 2c3x s GLU 58 Ca -0.09 0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 2c3x s GLU 58 Cb -0.01 -1.85 -0.13 0.00 0.10 0.00 0.00 34.13 32.24 2c3x s GLU 58 CO 0.04 -2.24 1.31 -1.91 0.02 0.00 0.00 175.26 172.47 2c3x n GLU 59 N -3.74 1.98 -2.61 1.61 2.13 -1.26 -3.01 120.64 115.74 2c3x n GLU 59 Ca 0.10 0.70 -0.13 0.00 0.66 0.00 0.00 57.16 58.49 2c3x n GLU 59 Cb 0.60 -2.29 0.02 0.00 0.27 0.00 0.00 31.44 30.04 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 1.45 -0.06 3.93 8.31 0.00 -1.26 -5.00 105.19 112.56 2c3x n GLY 60 Ca 0.08 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.75 5.86 -0.09 1.61 0.01 -1.16 -4.93 113.70 112.25 2c3x s SER 61 Ca 0.14 0.64 -0.15 0.00 1.31 0.00 0.00 55.95 57.89 2c3x s SER 61 Cb -0.06 -1.81 0.03 0.00 0.21 0.00 0.00 66.02 64.40 2c3x s SER 61 CO 0.18 -0.81 0.37 -1.58 0.41 0.00 0.00 173.24 171.81 2c3x s GLN 62 N -4.78 0.57 -0.00 12.44 2.00 -1.26 -1.90 119.66 126.72 2c3x s GLN 62 Ca 0.50 0.25 -0.03 0.00 -2.00 0.00 0.00 55.36 54.08 2c3x s GLN 62 Cb -0.10 0.27 -0.00 0.00 0.80 0.00 0.00 33.01 33.97 2c3x s GLN 62 CO 0.43 -0.12 0.05 -0.48 -0.50 0.00 0.00 175.29 174.67 2c3x s LEU 63 N -0.45 1.87 -0.09 3.68 0.05 0.07 -0.03 118.68 123.77 2c3x s LEU 63 Ca -0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 54.13 53.96 2c3x s LEU 63 Cb -0.04 0.27 -0.03 0.00 -2.05 0.00 0.00 46.19 44.35 2c3x s LEU 63 CO 0.02 -0.18 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.49 2c3x s ARG 64 N -0.75 3.01 0.04 1.48 0.52 -0.75 -0.74 118.95 121.77 2c3x s ARG 64 Ca -0.08 -0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 2c3x s ARG 64 Cb -0.05 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 2c3x s ARG 64 CO 0.00 0.64 0.11 0.00 0.02 0.00 0.00 175.30 176.07 2c3x s ALA 65 N -0.71 -0.09 0.07 2.13 0.00 -0.58 -0.41 121.76 122.16 2c3x s ALA 65 Ca 0.11 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2c3x s ALA 65 Cb -0.12 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2c3x s ALA 65 CO 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 175.76 175.32 2c3x s ALA 66 N -2.84 0.93 -0.09 0.00 0.00 0.19 -0.88 121.76 119.07 2c3x s ALA 66 Ca -0.03 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2c3x s ALA 66 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2c3x s ALA 66 CO -0.06 0.05 -0.17 -0.06 0.00 0.00 0.00 175.76 175.52 2c3x s PHE 67 N -1.56 2.67 0.27 0.00 0.08 -0.26 -0.11 117.98 119.07 2c3x s PHE 67 Ca -0.04 -0.57 0.05 0.00 0.12 0.00 0.00 56.93 56.49 2c3x s PHE 67 Cb -0.08 -1.72 -0.06 0.00 -0.57 0.00 0.00 43.02 40.59 2c3x s PHE 67 CO 0.01 -0.12 -0.00 0.54 -0.10 0.00 0.00 175.22 175.54 2c3x s ASN 68 N -0.06 2.26 -0.08 1.36 4.22 -0.07 0.15 114.94 122.72 2c3x s ASN 68 Ca -0.04 -1.25 0.09 0.00 -2.14 0.00 0.00 52.86 49.52 2c3x s ASN 68 Cb -0.14 -0.07 0.41 0.00 1.28 0.00 0.00 41.25 42.72 2c3x s ASN 68 CO 0.04 -0.48 1.21 -0.46 -2.04 0.00 0.00 177.10 175.37 2c3x n ASN 69 N -0.54 3.02 0.00 3.54 2.04 0.33 0.56 115.26 124.21 2c3x n ASN 69 Ca -0.04 -2.31 0.00 0.00 -0.44 0.00 0.00 54.58 51.78 2c3x n ASN 69 Cb 0.64 -0.48 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 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 0.63 1.65 1.26 4.83 0.00 -1.20 -4.40 105.19 107.95 2c3x n GLY 70 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.24 0.00 1.61 2.88 -1.26 -4.97 113.62 111.64 2c3x n SER 71 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 2c3x n SER 71 Cb 0.00 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.13 1.17 3.72 0.46 0.00 -1.26 -5.04 105.19 104.36 2c3x n GLY 72 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2c3x n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3x s GLN 73 N -0.54 4.47 0.16 1.61 -1.52 -1.26 -4.99 119.66 117.60 2c3x s GLN 73 Ca 0.00 1.03 0.08 0.00 -1.95 0.00 0.00 55.36 54.52 2c3x s GLN 73 Cb 0.00 -3.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.31 2c3x s GLN 73 CO 0.00 0.06 -0.18 -1.58 -0.25 0.00 0.00 175.29 173.34 2c3x s TRP 74 N 0.74 1.80 -0.24 0.91 0.52 -1.26 -0.51 118.94 120.90 2c3x s TRP 74 Ca 0.41 -0.47 -0.00 0.00 0.02 0.00 0.00 56.10 56.06 2c3x s TRP 74 Cb -0.19 -0.90 0.07 0.00 -1.15 0.00 0.00 33.47 31.30 2c3x s TRP 74 CO 0.21 0.32 -0.01 0.34 0.02 0.00 0.00 176.95 177.83 2c3x s ASP 75 N -2.66 3.72 -0.12 2.95 2.15 0.40 -4.95 116.67 118.16 2c3x s ASP 75 Ca 0.15 -1.22 0.21 0.00 0.43 0.00 0.00 52.55 52.13 2c3x s ASP 75 Cb -0.06 -1.04 0.45 0.00 -0.30 0.00 0.00 42.92 41.97 2c3x s ASP 75 CO 0.06 -0.28 1.17 -0.46 -0.17 0.00 0.00 175.17 175.49 2c3x n ASN 76 N 4.75 1.60 -3.87 -0.34 0.23 -1.26 -1.11 115.26 115.26 2c3x n ASN 76 Ca -0.09 -2.50 -0.30 0.00 -0.53 0.00 0.00 54.58 51.15 2c3x n ASN 76 Cb 0.44 -0.39 0.02 0.00 -2.08 0.00 0.00 39.78 37.77 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 -0.15 -4.67 -3.60 0.53 5.15 -1.26 -0.96 115.26 110.29 2c3x n ASN 77 Ca 0.12 -0.75 -0.23 0.00 -0.60 0.00 0.00 54.58 53.11 2c3x n ASN 77 Cb 0.97 -3.74 0.04 0.00 -0.53 0.00 0.00 39.78 36.52 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 -4.56 -3.15 -0.71 1.20 6.02 -1.26 -2.46 117.38 112.45 2c3x n GLN 78 Ca 0.04 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 2c3x n GLN 78 Cb 0.52 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.81 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 -1.54 1.03 0.11 1.08 0.00 -0.14 -4.84 105.19 100.90 2c3x n GLY 79 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2c3x n GLY 79 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2c3x h ARG 80 N 2.11 0.00 -2.29 1.61 3.08 -1.08 -3.51 114.38 114.29 2c3x h ARG 80 Ca 0.00 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.31 2c3x h ARG 80 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 2c3x h ARG 80 CO 0.00 0.08 -0.56 -0.25 -1.07 0.00 0.00 179.97 178.17 2c3x n ASP 81 N -2.75 -5.96 -4.54 7.04 8.00 -0.32 -4.92 116.55 113.11 2c3x n ASP 81 Ca -0.03 0.64 -0.34 0.00 0.71 0.00 0.00 54.79 55.78 2c3x n ASP 81 Cb 0.63 -3.17 -0.12 0.00 -0.02 0.00 0.00 41.12 38.44 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 -2.63 2.93 -0.26 1.24 2.02 -0.05 -4.71 117.35 115.88 2c3x s TYR 82 Ca 0.00 -0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 56.44 2c3x s TYR 82 Cb 0.00 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 2c3x s TYR 82 CO 0.00 0.20 0.37 -0.51 -1.57 0.00 0.00 175.55 174.04 2c3x s ASP 83 N -0.47 6.27 -0.08 2.29 1.01 -1.26 -1.52 116.67 122.90 2c3x s ASP 83 Ca 0.07 0.31 0.04 0.00 0.71 0.00 0.00 52.55 53.68 2c3x s ASP 83 Cb -0.12 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 2c3x s ASP 83 CO 0.02 -0.16 -0.23 -0.36 0.21 0.00 0.00 175.17 174.65 2c3x s PHE 84 N 1.96 2.54 0.57 4.23 0.08 0.08 -4.98 117.98 122.46 2c3x s PHE 84 Ca 0.15 -0.83 -0.03 0.00 0.12 0.00 0.00 56.93 56.34 2c3x s PHE 84 Cb -0.16 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2c3x s PHE 84 CO 0.10 -0.29 0.84 -1.12 -0.10 0.00 0.00 175.22 174.64 2c3x s SER 85 N 0.08 5.39 0.19 1.36 0.01 -1.26 -0.75 113.70 118.72 2c3x s SER 85 Ca -0.10 0.36 -0.33 0.00 1.31 0.00 0.00 55.95 57.18 2c3x s SER 85 Cb -0.16 -1.30 -0.14 0.00 0.21 0.00 0.00 66.02 64.63 2c3x s SER 85 CO 0.06 -1.12 1.49 -1.20 0.41 0.00 0.00 173.24 172.88 2c3x n SER 86 N -2.47 2.86 0.00 2.44 7.64 -0.80 -4.71 113.62 118.58 2c3x n SER 86 Ca 0.05 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2c3x n SER 86 Cb 0.59 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 2.81 0.74 3.46 0.23 0.00 -0.19 -4.78 105.19 107.46 2c3x n GLY 87 Ca 0.15 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.47 3.21 0.06 1.61 1.01 -1.26 -1.55 120.40 122.01 2c3x s VAL 88 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2c3x s VAL 88 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2c3x s VAL 88 CO 0.00 0.57 -0.05 -1.00 0.00 0.00 0.00 175.10 174.61 2c3x s HIS 89 N -0.34 0.65 -0.11 5.22 4.02 -0.22 0.65 115.29 125.16 2c3x s HIS 89 Ca 0.04 -0.80 0.01 0.00 1.02 0.00 0.00 55.06 55.32 2c3x s HIS 89 Cb -0.13 -0.41 0.02 0.00 -1.02 0.00 0.00 32.58 31.04 2c3x s HIS 89 CO 0.02 -0.20 -0.13 0.99 1.02 0.00 0.00 174.74 176.44 2c3x s THR 90 N -2.87 1.37 -0.27 1.30 2.01 0.16 0.18 115.64 117.52 2c3x s THR 90 Ca 0.01 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 2c3x s THR 90 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2c3x s THR 90 CO -0.04 0.42 0.13 -0.22 -0.69 0.00 0.00 174.62 174.21 2c3x s LEU 91 N 1.14 3.76 -0.05 4.42 2.96 0.73 -1.63 118.68 130.01 2c3x s LEU 91 Ca -0.04 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2c3x s LEU 91 Cb -0.14 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.57 2c3x s LEU 91 CO -0.03 -0.07 -0.03 0.00 -1.32 0.00 0.00 176.35 174.90 2c3x s ALA 92 N 1.67 0.64 -1.30 5.97 0.00 -0.77 -0.81 121.76 127.16 2c3x s ALA 92 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 2c3x s ALA 92 Cb -0.16 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2c3x s ALA 92 CO 0.07 -0.15 0.53 -0.25 0.00 0.00 0.00 175.76 175.96 2c3x n ASP 93 N 4.37 -2.57 0.00 0.00 8.00 -1.26 -0.99 116.55 124.10 2c3x n ASP 93 Ca -0.20 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.17 2c3x n ASP 93 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.05 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 -2.02 0.35 3.32 0.44 0.00 -1.26 -5.00 105.19 101.02 2c3x n GLY 94 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2c3x n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2c3x s ARG 95 N -0.70 1.58 -0.15 1.61 1.70 -0.16 -5.06 118.95 117.78 2c3x s ARG 95 Ca 0.00 -1.10 -0.02 0.00 -0.47 0.00 0.00 55.73 54.14 2c3x s ARG 95 Cb 0.00 -1.79 -0.02 0.00 -0.57 0.00 0.00 34.95 32.56 2c3x s ARG 95 CO 0.00 0.45 -0.07 0.42 -1.08 0.00 0.00 175.30 175.02 2c3x s ILE 96 N -0.86 3.58 0.13 4.99 1.01 -1.26 -1.84 121.20 126.95 2c3x s ILE 96 Ca 0.10 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.37 2c3x s ILE 96 Cb -0.10 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2c3x s ILE 96 CO 0.03 0.51 -0.20 -0.76 0.00 0.00 0.00 174.94 174.51 2c3x s LEU 97 N 0.35 2.36 0.60 2.97 1.43 -0.64 -4.98 118.68 120.77 2c3x s LEU 97 Ca -0.07 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.12 2c3x s LEU 97 Cb -0.15 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 2c3x s LEU 97 CO 0.04 0.03 1.05 -0.94 0.23 0.00 0.00 176.35 176.75 2c3x s SER 98 N -2.24 5.82 0.00 2.29 1.04 -1.26 -0.67 113.70 118.69 2c3x s SER 98 Ca 0.11 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2c3x s SER 98 Cb -0.08 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2c3x s SER 98 CO 0.05 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2c3x n GLY 99 N -1.26 -1.09 3.85 7.32 0.00 0.21 -4.77 105.19 109.45 2c3x n GLY 99 Ca 0.08 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.07 2.01 0.64 2.61 -4.23 -1.26 -2.98 115.64 111.35 2c3x s THR 100 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.34 2c3x s THR 100 Cb 0.00 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2c3x s THR 100 CO 0.00 -0.00 1.02 -2.65 -0.54 0.00 0.00 174.62 172.45 2c3x n PRO 101 N -3.52 0.83 0.00 3.99 -0.02 -1.26 -4.86 135.00 130.16 2c3x n PRO 101 Ca 0.07 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2c3x n PRO 101 Cb 0.60 -2.25 0.14 0.00 -0.02 0.00 0.00 33.50 31.98 2c3x n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11