#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyl s THR 17 N 0.00 3.96 0.00 1.39 -1.32 0.66 -4.16 115.64 116.17 3gyl s THR 17 Ca 0.00 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 3gyl s THR 17 Cb 0.00 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 3gyl s THR 17 CO 0.00 0.55 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 3gyl n GLY 18 N 2.82 0.56 0.00 6.08 0.00 -1.21 -1.36 105.19 112.08 3gyl n GLY 18 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3gyl n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyl n GLY 19 N -2.85 1.96 3.27 -0.02 0.00 -1.26 -4.88 105.19 101.42 3gyl n GLY 19 Ca 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3gyl n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gyl s SER 20 N -0.97 0.14 0.14 1.61 1.04 -0.18 -4.95 113.70 110.53 3gyl s SER 20 Ca 0.00 -1.11 -0.31 0.00 0.48 0.00 0.00 55.95 55.01 3gyl s SER 20 Cb 0.00 0.39 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 3gyl s SER 20 CO 0.00 -0.85 1.40 -0.44 0.98 0.00 0.00 173.24 174.33 3gyl s SER 21 N -3.04 6.79 1.11 7.02 0.01 -1.26 -0.59 113.70 123.74 3gyl s SER 21 Ca 0.25 2.39 -0.16 0.00 1.31 0.00 0.00 55.95 59.74 3gyl s SER 21 Cb 0.05 -2.59 0.24 0.00 0.21 0.00 0.00 66.02 63.93 3gyl s SER 21 CO 0.04 -0.66 1.11 0.00 0.41 0.00 0.00 173.24 174.14 3gyl s ALA 22 N 0.91 0.82 0.04 1.44 0.00 0.21 -4.85 121.76 120.34 3gyl s ALA 22 Ca 0.64 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 3gyl s ALA 22 Cb -0.38 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3gyl s ALA 22 CO 0.32 -3.23 0.21 0.08 0.00 0.00 0.00 175.76 173.14 3gyl s VAL 23 N -3.04 5.39 0.24 0.00 1.01 -1.26 -4.80 120.40 117.94 3gyl s VAL 23 Ca 0.69 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 3gyl s VAL 23 Cb -0.13 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 3gyl s VAL 23 CO 0.56 0.21 1.35 0.00 0.00 0.00 0.00 175.10 177.22 3gyl n ALA 24 N 0.55 0.83 -0.34 5.51 0.00 -1.26 -1.38 120.51 124.42 3gyl n ALA 24 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3gyl n ALA 24 Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3gyl n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyl n GLY 25 N 1.96 1.52 0.20 0.00 0.00 -1.26 -4.91 105.19 102.71 3gyl n GLY 25 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 3gyl n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gyl h GLN 26 N 3.05 0.30 -2.11 1.61 4.15 -1.60 -3.33 115.11 117.17 3gyl h GLN 26 Ca 0.00 -0.14 -0.58 0.00 0.77 0.00 0.00 58.65 58.70 3gyl h GLN 26 Cb 0.00 -0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.28 3gyl h GLN 26 CO 0.00 0.66 -0.83 0.91 -1.93 0.00 0.00 178.83 177.64 3gyl n TRP 27 N -4.02 1.93 1.87 3.99 7.02 -1.26 -4.97 117.44 121.99 3gyl n TRP 27 Ca -0.01 -3.90 0.13 0.00 -1.02 0.00 0.00 57.50 52.70 3gyl n TRP 27 Cb 0.49 -0.47 0.76 0.00 -2.42 0.00 0.00 31.31 29.68 3gyl n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3gyl n PRO 28 N 0.94 0.93 0.02 -0.99 -0.04 -1.25 -1.41 135.00 133.20 3gyl n PRO 28 Ca 0.26 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 3gyl n PRO 28 Cb 0.47 -1.43 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 3gyl n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3gyl n TRP 29 N -0.93 0.19 -2.30 0.54 2.14 -1.06 -1.94 117.44 114.06 3gyl n TRP 29 Ca 0.19 0.05 -0.42 0.00 2.07 0.00 0.00 57.50 59.40 3gyl n TRP 29 Cb 0.09 -0.42 -0.03 0.00 -0.81 0.00 0.00 31.31 30.14 3gyl n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3gyl s GLN 30 N -3.05 4.39 0.16 -2.67 2.00 -0.50 -0.60 119.66 119.39 3gyl s GLN 30 Ca 0.10 1.92 0.09 0.00 -2.00 0.00 0.00 55.36 55.47 3gyl s GLN 30 Cb 0.16 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 3gyl s GLN 30 CO 0.68 -0.30 -0.19 0.14 -0.50 0.00 0.00 175.29 175.12 3gyl s VAL 31 N 0.86 1.83 -0.20 1.34 -7.23 -0.28 -4.37 120.40 112.35 3gyl s VAL 31 Ca 0.60 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.79 3gyl s VAL 31 Cb -0.33 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3gyl s VAL 31 CO 0.31 -0.28 0.13 -0.55 -0.31 0.00 0.00 175.10 174.40 3gyl s SER 32 N -2.58 6.17 -0.23 4.85 0.15 -0.42 -2.19 113.70 119.46 3gyl s SER 32 Ca 0.15 0.22 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 3gyl s SER 32 Cb -0.06 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 3gyl s SER 32 CO 0.06 0.17 0.05 -0.63 1.20 0.00 0.00 173.24 174.10 3gyl s ILE 33 N 0.39 4.34 0.19 6.45 -1.09 0.75 -0.29 121.20 131.94 3gyl s ILE 33 Ca 0.08 -0.17 0.09 0.00 -2.23 0.00 0.00 60.65 58.42 3gyl s ILE 33 Cb -0.11 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 3gyl s ILE 33 CO -0.02 0.38 -0.10 0.42 -1.23 0.00 0.00 174.94 174.40 3gyl s THR 34 N 1.23 3.15 -0.10 2.92 -4.23 0.10 -0.66 115.64 118.06 3gyl s THR 34 Ca 0.04 -1.73 -0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3gyl s THR 34 Cb -0.14 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.15 3gyl s THR 34 CO 0.03 -0.15 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.42 3gyl s TYR 35 N -1.79 1.35 -1.57 3.99 5.04 0.12 -1.48 117.35 123.01 3gyl s TYR 35 Ca 0.25 -0.62 -0.15 0.00 -2.44 0.00 0.00 57.07 54.12 3gyl s TYR 35 Cb -0.08 -1.13 0.10 0.00 0.35 0.00 0.00 41.96 41.20 3gyl s TYR 35 CO 0.15 -0.44 0.92 0.39 -1.34 0.00 0.00 175.55 175.23 3gyl n GLU 36 N 4.77 -4.89 -0.66 4.97 1.02 0.18 -1.73 120.64 124.31 3gyl n GLU 36 Ca -0.14 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3gyl n GLU 36 Cb 0.50 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 3gyl n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gyl n GLY 38 N -1.62 1.34 3.54 0.62 0.00 -1.26 -5.02 105.19 102.80 3gyl n GLY 38 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3gyl n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyl s VAL 39 N -3.53 4.20 0.11 1.61 1.01 -0.70 -5.01 120.40 118.08 3gyl s VAL 39 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 61.98 61.41 3gyl s VAL 39 Cb 0.00 -2.86 -0.12 0.00 0.00 0.00 0.00 36.38 33.40 3gyl s VAL 39 CO 0.00 0.48 1.76 1.57 0.00 0.00 0.00 175.10 178.92 3gyl n HIS 40 N 3.54 2.49 0.00 5.22 -0.00 -1.26 -0.70 115.22 124.51 3gyl n HIS 40 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 3gyl n HIS 40 Cb 0.52 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.85 3gyl n HIS 40 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 3gyl n VAL 41 N 4.36 0.00 -3.67 3.57 0.24 0.17 -4.90 118.33 118.09 3gyl n VAL 41 Ca 0.18 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.41 3gyl n VAL 41 Cb 0.33 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.44 3gyl n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gyl s GLY 43 N -2.82 1.77 0.34 0.00 0.00 0.31 -0.18 107.32 106.75 3gyl s GLY 43 Ca 0.08 -1.40 -0.17 0.00 0.00 0.00 0.00 44.72 43.23 3gyl s GLY 43 CO -0.01 -0.94 0.84 -0.32 0.00 0.00 0.00 173.10 172.67 3gyl s GLY 44 N -4.60 0.31 -0.08 0.20 0.00 -0.93 -3.46 107.32 98.76 3gyl s GLY 44 Ca 0.63 -0.66 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 3gyl s GLY 44 CO 0.43 0.25 -0.03 -0.56 0.00 0.00 0.00 173.10 173.18 3gyl s SER 45 N -3.13 1.63 0.10 1.64 0.01 0.08 -1.13 113.70 112.90 3gyl s SER 45 Ca 0.17 -0.16 -0.31 0.00 1.31 0.00 0.00 55.95 56.96 3gyl s SER 45 Cb -0.05 -0.57 -0.08 0.00 0.21 0.00 0.00 66.02 65.53 3gyl s SER 45 CO 0.10 -0.14 1.54 -0.22 0.41 0.00 0.00 173.24 174.93 3gyl s LEU 46 N 1.65 4.36 0.00 2.44 2.96 0.24 -0.65 118.68 129.68 3gyl s LEU 46 Ca 0.01 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 3gyl s LEU 46 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3gyl s LEU 46 CO -0.05 -0.80 0.06 1.33 -1.32 0.00 0.00 176.35 175.58 3gyl n VAL 47 N 4.32 0.00 -3.18 1.68 0.24 -0.17 -1.11 118.33 120.11 3gyl n VAL 47 Ca 0.14 -0.49 -0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3gyl n VAL 47 Cb 0.41 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3gyl n VAL 47 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gyl n SER 48 N -0.85 -0.04 0.29 -1.34 3.41 -1.07 -4.73 113.62 109.29 3gyl n SER 48 Ca 0.00 -1.02 0.19 0.00 -0.26 0.00 0.00 58.87 57.78 3gyl n SER 48 Cb 0.00 0.06 0.83 0.00 -0.26 0.00 0.00 64.21 64.84 3gyl n SER 48 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gyl h GLU 49 N 0.00 0.00 0.00 4.33 3.07 -1.98 -3.27 114.58 116.73 3gyl h GLU 49 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3gyl h GLU 49 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3gyl h GLU 49 CO 0.01 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.56 3gyl n GLN 50 N -3.07 0.29 -4.46 2.33 7.27 -1.26 -0.63 117.38 117.85 3gyl n GLN 50 Ca -0.00 -0.49 -0.21 0.00 0.07 0.00 0.00 57.00 56.37 3gyl n GLN 50 Cb 0.24 -0.58 -0.14 0.00 2.41 0.00 0.00 30.24 32.16 3gyl n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3gyl s TRP 51 N -0.11 1.16 0.04 3.69 0.52 -1.23 -0.42 118.94 122.58 3gyl s TRP 51 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 55.90 3gyl s TRP 51 Cb 0.00 -0.72 -0.02 0.00 -1.15 0.00 0.00 33.47 31.58 3gyl s TRP 51 CO 0.00 0.00 -0.18 0.08 0.02 0.00 0.00 176.95 176.88 3gyl s VAL 52 N -0.55 1.41 -0.13 4.03 1.01 -0.07 -1.00 120.40 125.10 3gyl s VAL 52 Ca 0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3gyl s VAL 52 Cb -0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3gyl s VAL 52 CO 0.00 0.12 0.01 -0.76 0.00 0.00 0.00 175.10 174.47 3gyl s LEU 53 N -1.14 3.58 0.00 3.92 1.43 0.18 -0.48 118.68 126.16 3gyl s LEU 53 Ca 0.05 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3gyl s LEU 53 Cb -0.08 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3gyl s LEU 53 CO 0.02 0.27 0.00 -0.24 0.23 0.00 0.00 176.35 176.63 3gyl n SER 54 N 2.86 0.00 -4.88 2.29 2.88 -0.30 -0.74 113.62 115.74 3gyl n SER 54 Ca -0.18 -0.38 -0.35 0.00 -1.33 0.00 0.00 58.87 56.63 3gyl n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 3gyl n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gyl s ALA 55 N -1.88 3.80 0.48 -1.46 0.00 -1.26 -0.73 121.76 120.71 3gyl s ALA 55 Ca 0.00 -0.49 0.14 0.00 0.00 0.00 0.00 51.96 51.61 3gyl s ALA 55 Cb 0.00 -2.15 1.13 0.00 0.00 0.00 0.00 23.12 22.10 3gyl s ALA 55 CO 0.00 0.61 2.09 0.00 0.00 0.00 0.00 175.76 178.47 3gyl h ALA 56 N 3.98 1.87 0.00 0.00 0.00 -1.65 -1.84 119.26 121.62 3gyl h ALA 56 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3gyl h ALA 56 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gyl h ALA 56 CO 0.66 0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.62 3gyl n HIS 57 N -4.48 0.79 1.66 0.00 1.44 -1.26 -1.20 115.22 112.16 3gyl n HIS 57 Ca -0.02 0.35 0.15 0.00 -2.01 0.00 0.00 57.72 56.19 3gyl n HIS 57 Cb 0.12 -1.06 0.78 0.00 0.12 0.00 0.00 29.99 29.95 3gyl n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gyl n PHE 58 N -0.95 2.16 -1.94 0.00 3.01 -0.34 -5.03 117.46 114.36 3gyl n PHE 58 Ca 0.19 -3.92 -0.36 0.00 1.01 0.00 0.00 57.45 54.37 3gyl n PHE 58 Cb 0.21 -0.47 0.04 0.00 -0.01 0.00 0.00 39.48 39.25 3gyl n PHE 58 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3gyl s PRO 58 N -2.33 2.91 0.50 -1.08 0.04 -1.26 -4.89 135.00 128.90 3gyl s PRO 58 Ca 0.41 1.92 0.19 0.00 0.04 0.00 0.00 61.00 63.55 3gyl s PRO 58 Cb 0.21 -1.95 1.27 0.00 0.04 0.00 0.00 34.50 34.07 3gyl s PRO 58 CO -0.07 -1.27 2.10 0.66 0.04 0.00 0.00 177.00 178.45 3gyl h SER 58 N 0.90 0.00 0.00 6.66 4.64 -1.98 -3.44 113.55 120.32 3gyl h SER 58 Ca -0.51 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.42 3gyl h SER 58 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3gyl h SER 58 CO 0.55 0.08 2.16 -1.84 -0.87 0.00 0.00 176.83 176.91 3gyl n GLU 58 N -4.26 2.42 -3.67 4.77 0.00 -1.26 -5.04 120.64 113.61 3gyl n GLU 58 Ca -0.03 -1.48 -0.20 0.00 0.00 0.00 0.00 57.16 55.45 3gyl n GLU 58 Cb 0.16 -2.39 -0.18 0.00 0.00 0.00 0.00 31.44 29.04 3gyl n GLU 58 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3gyl s HIS 58 N 2.43 0.06 0.24 -1.84 2.46 -1.26 -5.21 115.29 112.17 3gyl s HIS 58 Ca 0.52 0.25 -0.04 0.00 0.47 0.00 0.00 55.06 56.27 3gyl s HIS 58 Cb 0.17 -0.48 0.43 0.00 -0.13 0.00 0.00 32.58 32.57 3gyl s HIS 58 CO -0.03 -0.20 1.77 -0.22 -2.47 0.00 0.00 174.74 173.59 3gyl h LYS 58 N 8.44 0.60 0.00 2.88 3.64 -1.97 -1.33 116.57 128.84 3gyl h LYS 58 Ca -0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3gyl h LYS 58 Cb 1.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3gyl h LYS 58 CO 0.15 0.40 0.00 -0.85 -2.27 0.00 0.00 179.45 176.88 3gyl n GLU 58 N -4.86 0.05 0.00 1.90 0.00 -1.26 -2.24 120.64 114.23 3gyl n GLU 58 Ca 0.14 0.21 0.13 0.00 0.00 0.00 0.00 57.16 57.64 3gyl n GLU 58 Cb 0.35 -1.50 0.40 0.00 0.00 0.00 0.00 31.44 30.69 3gyl n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gyl n ALA 63 N -1.45 2.77 -2.47 -1.84 0.00 -0.50 -4.92 120.51 112.09 3gyl n ALA 63 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 3gyl n ALA 63 Cb 0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 3gyl n ALA 63 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gyl s TYR 64 N -2.17 3.44 0.13 0.00 1.51 -0.95 -0.64 117.35 118.66 3gyl s TYR 64 Ca 0.32 0.80 0.02 0.00 -1.01 0.00 0.00 57.07 57.20 3gyl s TYR 64 Cb 0.20 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3gyl s TYR 64 CO 0.40 0.30 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.88 3gyl s GLU 65 N -2.82 0.94 -0.08 -0.62 2.02 -0.55 -4.34 118.70 113.26 3gyl s GLU 65 Ca 0.46 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 54.06 3gyl s GLU 65 Cb -0.11 -0.25 0.01 0.00 0.10 0.00 0.00 34.13 33.88 3gyl s GLU 65 CO 0.22 -0.05 -0.14 0.08 0.02 0.00 0.00 175.26 175.39 3gyl s VAL 66 N -3.62 1.31 -0.20 2.63 1.01 0.58 -0.72 120.40 121.40 3gyl s VAL 66 Ca 0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3gyl s VAL 66 Cb 0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3gyl s VAL 66 CO -0.01 0.40 -0.02 -0.75 0.00 0.00 0.00 175.10 174.71 3gyl s LYS 67 N 0.69 3.56 0.18 2.72 2.20 0.60 -0.87 119.74 128.82 3gyl s LYS 67 Ca -0.14 -0.55 0.09 0.00 -0.36 0.00 0.00 55.97 55.01 3gyl s LYS 67 Cb -0.16 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3gyl s LYS 67 CO 0.04 0.00 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.44 3gyl s LEU 68 N 1.00 3.04 -0.16 5.43 1.02 0.89 -1.30 118.68 128.60 3gyl s LEU 68 Ca 0.01 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.62 3gyl s LEU 68 Cb -0.14 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.35 3gyl s LEU 68 CO 0.01 0.10 0.00 0.61 0.02 0.00 0.00 176.35 177.10 3gyl n GLY 69 N 0.04 0.52 3.88 -3.19 0.00 -1.25 -0.69 105.19 104.50 3gyl n GLY 69 Ca -0.11 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3gyl n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyl s ALA 70 N -1.98 3.73 0.02 4.61 0.00 -1.26 -3.79 121.76 123.09 3gyl s ALA 70 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 3gyl s ALA 70 Cb 0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.88 3gyl s ALA 70 CO 0.00 0.60 -0.02 1.58 0.00 0.00 0.00 175.76 177.92 3gyl n HIS 71 N 0.44 0.00 -3.14 0.00 -0.00 -1.26 -4.85 115.22 106.40 3gyl n HIS 71 Ca -0.05 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.70 3gyl n HIS 71 Cb 0.52 -0.03 -0.07 0.00 -0.12 0.00 0.00 29.99 30.29 3gyl n HIS 71 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 3gyl s GLN 72 N -1.42 3.24 0.33 1.57 -0.21 -1.26 -1.18 119.66 120.74 3gyl s GLN 72 Ca -0.02 -0.45 0.04 0.00 0.02 0.00 0.00 55.36 54.95 3gyl s GLN 72 Cb 0.00 -3.96 0.65 0.00 1.00 0.00 0.00 33.01 30.71 3gyl s GLN 72 CO 0.02 -0.99 1.92 -0.07 -2.12 0.00 0.00 175.29 174.06 3gyl h LEU 73 N 9.59 0.78 -0.89 2.90 3.38 -0.58 -1.96 115.31 128.52 3gyl h LEU 73 Ca -0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3gyl h LEU 73 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3gyl h LEU 73 CO 0.88 0.48 0.00 0.47 0.09 0.00 0.00 178.44 180.36 3gyl n ASP 74 N -4.50 1.37 -4.87 -0.43 8.00 -0.49 -4.89 116.55 110.75 3gyl n ASP 74 Ca 0.13 -1.49 -0.34 0.00 0.71 0.00 0.00 54.79 53.80 3gyl n ASP 74 Cb 0.25 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 3gyl n ASP 74 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gyl s SER 75 N -1.93 6.63 0.23 -2.24 0.01 -0.74 -5.03 113.70 110.64 3gyl s SER 75 Ca 0.38 0.79 -0.32 0.00 1.31 0.00 0.00 55.95 58.12 3gyl s SER 75 Cb 0.20 -2.18 -0.12 0.00 0.21 0.00 0.00 66.02 64.13 3gyl s SER 75 CO 0.33 0.14 1.61 0.00 0.41 0.00 0.00 173.24 175.72 3gyl n TYR 76 N 0.72 2.61 -3.75 2.43 9.36 -1.26 -4.93 117.16 122.35 3gyl n TYR 76 Ca -0.06 0.21 -0.13 0.00 3.32 0.00 0.00 57.90 61.24 3gyl n TYR 76 Cb 0.52 -2.59 -0.13 0.00 -0.63 0.00 0.00 39.34 36.51 3gyl n TYR 76 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3gyl s SER 77 N 0.76 -0.23 0.00 2.98 0.15 -1.26 -4.99 113.70 111.11 3gyl s SER 77 Ca 0.71 0.47 0.29 0.00 0.70 0.00 0.00 55.95 58.12 3gyl s SER 77 Cb -0.56 0.38 1.29 0.00 -1.71 0.00 0.00 66.02 65.43 3gyl s SER 77 CO 0.41 -0.14 1.95 -0.62 1.20 0.00 0.00 173.24 176.04 3gyl n GLU 78 N 3.89 0.10 0.06 5.44 1.02 -1.26 -3.32 120.64 126.56 3gyl n GLU 78 Ca -0.22 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3gyl n GLU 78 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3gyl n GLU 78 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gyl n ASP 79 N -1.45 0.54 -4.82 1.62 8.00 -1.26 -4.92 116.55 114.26 3gyl n ASP 79 Ca 0.09 0.21 -0.33 0.00 0.71 0.00 0.00 54.79 55.47 3gyl n ASP 79 Cb 0.31 1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.38 3gyl n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gyl s ALA 80 N -3.40 2.97 -0.00 2.24 0.00 -1.21 -4.65 121.76 117.71 3gyl s ALA 80 Ca -0.03 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3gyl s ALA 80 Cb 0.11 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 3gyl s ALA 80 CO 0.83 -0.27 -0.02 0.15 0.00 0.00 0.00 175.76 176.45 3gyl s LYS 81 N -3.76 0.18 -0.02 0.00 -0.14 0.13 -4.98 119.74 111.15 3gyl s LYS 81 Ca 0.62 -0.08 0.07 0.00 -1.36 0.00 0.00 55.97 55.22 3gyl s LYS 81 Cb -0.12 -0.17 -0.02 0.00 -1.68 0.00 0.00 37.83 35.84 3gyl s LYS 81 CO 0.27 0.05 -0.25 0.08 -0.76 0.00 0.00 175.35 174.73 3gyl s VAL 82 N -0.07 2.14 0.07 3.17 1.01 -1.26 -0.08 120.40 125.38 3gyl s VAL 82 Ca 0.01 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3gyl s VAL 82 Cb -0.01 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3gyl s VAL 82 CO -0.00 0.58 -0.08 -0.55 0.00 0.00 0.00 175.10 175.05 3gyl s SER 83 N -0.59 1.01 0.74 3.32 0.15 -0.05 -4.98 113.70 113.30 3gyl s SER 83 Ca 0.09 -0.75 -0.00 0.00 0.70 0.00 0.00 55.95 55.99 3gyl s SER 83 Cb -0.10 0.06 0.14 0.00 -1.71 0.00 0.00 66.02 64.40 3gyl s SER 83 CO -0.01 -0.31 1.02 0.42 1.20 0.00 0.00 173.24 175.56 3gyl s THR 84 N -2.32 2.05 -0.07 6.45 -4.23 -1.26 -0.31 115.64 115.95 3gyl s THR 84 Ca -0.00 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 3gyl s THR 84 Cb -0.04 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 3gyl s THR 84 CO -0.02 0.00 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.18 3gyl s LEU 85 N -5.17 2.83 0.00 4.79 1.43 -1.26 -0.84 118.68 120.46 3gyl s LEU 85 Ca 0.67 -0.19 0.22 0.00 -1.03 0.00 0.00 54.13 53.80 3gyl s LEU 85 Cb -0.04 -1.60 -0.19 0.00 0.03 0.00 0.00 46.19 44.39 3gyl s LEU 85 CO 0.45 0.30 0.82 2.29 0.23 0.00 0.00 176.35 180.44 3gyl n LYS 86 N 2.60 0.25 -3.70 1.70 2.85 0.58 -4.67 118.16 117.78 3gyl n LYS 86 Ca -0.18 -0.06 -0.14 0.00 -1.05 0.00 0.00 58.31 56.89 3gyl n LYS 86 Cb 0.52 -1.53 -0.09 0.00 -0.65 0.00 0.00 35.03 33.29 3gyl n LYS 86 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3gyl s ASP 87 N -3.63 -0.48 -0.12 -5.58 2.15 -1.11 -4.98 116.67 102.92 3gyl s ASP 87 Ca 0.03 0.87 -0.00 0.00 0.43 0.00 0.00 52.55 53.88 3gyl s ASP 87 Cb 0.15 0.89 0.02 0.00 -0.30 0.00 0.00 42.92 43.69 3gyl s ASP 87 CO 0.86 -0.22 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.92 3gyl s ILE 88 N 0.01 1.18 -0.50 4.11 1.01 -1.26 -0.77 121.20 124.98 3gyl s ILE 88 Ca -0.02 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3gyl s ILE 88 Cb -0.03 -1.16 0.14 0.00 0.01 0.00 0.00 42.46 41.42 3gyl s ILE 88 CO 0.02 0.39 0.29 -0.63 0.00 0.00 0.00 174.94 175.01 3gyl s ILE 89 N 1.59 1.96 0.52 2.92 1.01 0.56 -5.00 121.20 124.77 3gyl s ILE 89 Ca 0.04 -3.07 -0.20 0.00 0.00 0.00 0.00 60.65 57.42 3gyl s ILE 89 Cb -0.13 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 3gyl s ILE 89 CO -0.08 -0.90 1.14 -2.84 0.00 0.00 0.00 174.94 172.26 3gyl s PRO 90 N -0.14 3.45 0.34 2.79 0.02 -1.26 -0.95 135.00 139.24 3gyl s PRO 90 Ca 0.19 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 3gyl s PRO 90 Cb -0.20 -2.10 -0.11 0.00 0.02 0.00 0.00 34.50 32.11 3gyl s PRO 90 CO -0.03 -0.78 1.47 -1.58 -0.33 0.00 0.00 177.00 175.74 3gyl s HIS 91 N -1.71 2.75 -0.27 6.54 2.46 0.07 -4.84 115.29 120.28 3gyl s HIS 91 Ca 0.71 1.13 0.25 0.00 0.47 0.00 0.00 55.06 57.61 3gyl s HIS 91 Cb -0.25 -3.95 1.16 0.00 -0.13 0.00 0.00 32.58 29.41 3gyl s HIS 91 CO 0.29 -2.86 1.75 -1.00 -2.47 0.00 0.00 174.74 170.45 3gyl h PRO 92 N 3.64 0.00 0.00 2.88 0.13 -1.92 -2.02 132.00 134.71 3gyl h PRO 92 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gyl h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3gyl h PRO 92 CO 0.69 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.33 3gyl n SER 93 N -2.35 0.00 -4.64 1.44 3.41 -1.26 -4.76 113.62 105.46 3gyl n SER 93 Ca 0.00 0.14 -0.43 0.00 -0.26 0.00 0.00 58.87 58.32 3gyl n SER 93 Cb 0.15 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 3gyl n SER 93 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3gyl s TYR 94 N -2.76 2.85 -0.08 7.33 5.04 -0.76 -4.66 117.35 124.31 3gyl s TYR 94 Ca 0.22 0.99 -0.08 0.00 -2.44 0.00 0.00 57.07 55.76 3gyl s TYR 94 Cb 0.20 -3.79 -0.03 0.00 0.35 0.00 0.00 41.96 38.68 3gyl s TYR 94 CO 0.49 -1.41 -0.16 1.28 -1.34 0.00 0.00 175.55 174.41 3gyl n LEU 95 N 7.26 0.93 -4.23 6.97 4.77 -1.26 -5.01 117.00 126.43 3gyl n LEU 95 Ca 0.14 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3gyl n LEU 95 Cb 0.47 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 3gyl n LEU 95 CO 0.61 -0.39 -0.22 0.00 -1.33 0.00 0.00 177.39 176.06 3gyl s GLN 96 N -1.91 1.34 0.02 3.23 -2.07 -1.26 -5.04 119.66 113.96 3gyl s GLN 96 Ca -0.14 -1.72 -0.37 0.00 -1.82 0.00 0.00 55.36 51.31 3gyl s GLN 96 Cb 0.02 0.21 -0.16 0.00 -1.09 0.00 0.00 33.01 31.99 3gyl s GLN 96 CO 0.20 -0.43 1.48 -1.91 -1.32 0.00 0.00 175.29 173.32 3gyl n GLU 97 N -0.37 1.36 -0.00 9.60 2.13 -1.26 -1.16 120.64 130.94 3gyl n GLU 97 Ca 0.03 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3gyl n GLU 97 Cb 0.65 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.19 3gyl n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gyl n GLY 98 N 3.08 1.37 3.72 8.31 0.00 -1.26 -5.06 105.19 115.36 3gyl n GLY 98 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3gyl n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gyl s SER 99 N -2.92 4.27 1.15 1.61 0.15 -0.31 -4.87 113.70 112.79 3gyl s SER 99 Ca 0.00 2.44 -0.13 0.00 0.70 0.00 0.00 55.95 58.97 3gyl s SER 99 Cb 0.00 -2.60 0.28 0.00 -1.71 0.00 0.00 66.02 61.99 3gyl s SER 99 CO 0.00 -2.22 1.03 0.00 1.20 0.00 0.00 173.24 173.26 3gyl s GLN 100 N -3.75 -0.84 -0.47 5.44 -2.07 -1.26 -4.07 119.66 112.64 3gyl s GLN 100 Ca 0.77 0.80 0.00 0.00 -1.82 0.00 0.00 55.36 55.10 3gyl s GLN 100 Cb -0.32 -1.57 0.00 0.00 -1.09 0.00 0.00 33.01 30.04 3gyl s GLN 100 CO 0.44 -3.66 0.00 0.41 -1.32 0.00 0.00 175.29 171.16 3gyl n GLY 101 N 0.60 0.51 2.97 2.60 0.00 -1.26 -3.66 105.19 106.95 3gyl n GLY 101 Ca 0.03 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 3gyl n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gyl n ASP 102 N 1.16 4.58 -3.74 1.61 2.03 -1.26 -4.15 116.55 116.79 3gyl n ASP 102 Ca -0.05 -2.96 -0.14 0.00 0.52 0.00 0.00 54.79 52.16 3gyl n ASP 102 Cb 0.32 -1.60 -0.09 0.00 -0.72 0.00 0.00 41.12 39.03 3gyl n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3gyl s ILE 103 N 2.19 0.05 -0.06 5.18 2.07 -1.26 -3.76 121.20 125.61 3gyl s ILE 103 Ca 0.45 -0.39 -0.03 0.00 -1.41 0.00 0.00 60.65 59.27 3gyl s ILE 103 Cb 0.09 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 42.08 3gyl s ILE 103 CO -0.02 -0.21 0.13 0.00 -1.91 0.00 0.00 174.94 172.93 3gyl s ALA 104 N -1.16 -0.27 -0.12 1.50 0.00 0.09 -0.75 121.76 121.04 3gyl s ALA 104 Ca -0.12 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 3gyl s ALA 104 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3gyl s ALA 104 CO 0.04 -0.12 0.45 -0.51 0.00 0.00 0.00 175.76 175.62 3gyl s LEU 105 N 0.74 4.27 -0.14 0.00 1.43 -0.13 -1.15 118.68 123.71 3gyl s LEU 105 Ca -0.06 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3gyl s LEU 105 Cb -0.07 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.50 3gyl s LEU 105 CO -0.03 0.02 -0.19 -0.76 0.23 0.00 0.00 176.35 175.62 3gyl s LEU 106 N 0.57 2.29 -0.25 1.79 1.43 0.37 -0.32 118.68 124.56 3gyl s LEU 106 Ca 0.24 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 3gyl s LEU 106 Cb -0.15 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3gyl s LEU 106 CO 0.09 0.10 0.12 -1.58 0.23 0.00 0.00 176.35 175.31 3gyl s GLN 107 N 0.70 3.85 0.78 1.70 0.74 0.05 -0.89 119.66 126.58 3gyl s GLN 107 Ca -0.09 -0.38 -0.12 0.00 0.05 0.00 0.00 55.36 54.82 3gyl s GLN 107 Cb -0.16 -3.44 0.06 0.00 1.10 0.00 0.00 33.01 30.57 3gyl s GLN 107 CO 0.01 -0.09 1.13 -0.51 -0.55 0.00 0.00 175.29 175.29 3gyl s LEU 108 N 1.41 3.12 0.29 3.68 1.43 0.44 -0.30 118.68 128.75 3gyl s LEU 108 Ca 0.06 2.06 0.01 0.00 -1.03 0.00 0.00 54.13 55.23 3gyl s LEU 108 Cb -0.15 -4.55 0.44 0.00 0.03 0.00 0.00 46.19 41.96 3gyl s LEU 108 CO 0.06 -2.27 1.80 0.28 0.23 0.00 0.00 176.35 176.45 3gyl h SER 109 N -0.91 0.64 -4.89 2.29 0.02 -1.26 -3.37 113.55 106.08 3gyl h SER 109 Ca -0.45 -0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.16 3gyl h SER 109 Cb 1.26 -0.17 -0.18 0.00 0.14 0.00 0.00 62.40 63.45 3gyl h SER 109 CO 0.49 0.72 -0.70 -0.13 -1.14 0.00 0.00 176.83 176.06 3gyl s ARG 110 N -4.95 0.57 0.59 3.45 1.81 -1.26 -4.84 118.95 114.32 3gyl s ARG 110 Ca -0.09 -0.97 -0.18 0.00 -1.72 0.00 0.00 55.73 52.78 3gyl s ARG 110 Cb 0.15 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.56 3gyl s ARG 110 CO 0.79 -0.03 1.14 -1.25 -0.68 0.00 0.00 175.30 175.27 3gyl s PRO 111 N -2.64 3.09 0.48 3.54 0.04 -1.26 -4.86 135.00 133.39 3gyl s PRO 111 Ca -0.02 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.67 3gyl s PRO 111 Cb -0.02 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3gyl s PRO 111 CO -0.04 -1.05 0.54 0.96 0.04 0.00 0.00 177.00 177.45 3gyl s ILE 112 N -1.93 2.41 -0.15 0.56 -5.25 0.20 -5.00 121.20 112.03 3gyl s ILE 112 Ca 0.72 -1.20 -0.02 0.00 -0.99 0.00 0.00 60.65 59.16 3gyl s ILE 112 Cb -0.24 -2.61 -0.02 0.00 2.95 0.00 0.00 42.46 42.55 3gyl s ILE 112 CO 0.33 0.00 -0.08 -0.89 -1.79 0.00 0.00 174.94 172.51 3gyl s THR 113 N -2.55 3.43 0.71 8.37 2.01 -1.26 -4.81 115.64 121.54 3gyl s THR 113 Ca 0.51 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 3gyl s THR 113 Cb -0.05 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 70.00 3gyl s THR 113 CO 0.31 0.50 1.18 -0.36 -0.69 0.00 0.00 174.62 175.56 3gyl s PHE 114 N 0.50 2.19 0.14 4.92 0.08 -1.26 -4.91 117.98 119.64 3gyl s PHE 114 Ca -0.06 1.59 -0.02 0.00 0.12 0.00 0.00 56.93 58.56 3gyl s PHE 114 Cb -0.15 -3.39 0.01 0.00 -0.57 0.00 0.00 43.02 38.92 3gyl s PHE 114 CO 0.03 -2.37 0.21 -1.13 -0.10 0.00 0.00 175.22 171.87 3gyl n SER 115 N -2.66 -0.60 0.00 1.36 3.41 -0.14 -4.95 113.62 110.04 3gyl n SER 115 Ca 0.13 -1.70 0.08 0.00 -0.26 0.00 0.00 58.87 57.12 3gyl n SER 115 Cb 0.51 1.08 0.36 0.00 -0.26 0.00 0.00 64.21 65.90 3gyl n SER 115 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gyl n ARG 116 N -0.22 0.02 0.00 4.33 1.74 -1.26 -2.48 116.66 118.80 3gyl n ARG 116 Ca -0.01 0.21 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 3gyl n ARG 116 Cb 0.23 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3gyl n ARG 116 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gyl n TYR 117 N -1.48 0.00 -3.70 -1.55 4.02 -1.26 -4.85 117.16 108.33 3gyl n TYR 117 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.65 3gyl n TYR 117 Cb 0.19 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.35 3gyl n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3gyl s ILE 118 N -1.29 0.47 -0.03 -0.72 1.01 -1.03 -3.81 121.20 115.79 3gyl s ILE 118 Ca 0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 3gyl s ILE 118 Cb 0.07 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.46 3gyl s ILE 118 CO 0.23 -0.35 0.22 -0.13 0.00 0.00 0.00 174.94 174.91 3gyl s ARG 119 N 1.87 0.48 0.50 2.79 1.81 -0.82 -0.96 118.95 124.61 3gyl s ARG 119 Ca 0.02 -0.12 -0.15 0.00 -1.72 0.00 0.00 55.73 53.76 3gyl s ARG 119 Cb -0.17 0.21 -0.07 0.00 -0.45 0.00 0.00 34.95 34.47 3gyl s ARG 119 CO -0.14 -0.11 0.95 -1.25 -0.68 0.00 0.00 175.30 174.07 3gyl s PRO 120 N -0.91 3.90 -0.09 3.54 0.04 -1.26 -2.58 135.00 137.65 3gyl s PRO 120 Ca -0.10 0.86 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 3gyl s PRO 120 Cb -0.05 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3gyl s PRO 120 CO 0.02 -0.24 0.14 -1.50 0.04 0.00 0.00 177.00 175.46 3gyl s ILE 121 N -2.60 5.40 0.33 0.56 2.07 -0.27 -4.86 121.20 121.83 3gyl s ILE 121 Ca 0.57 0.08 -0.28 0.00 -1.41 0.00 0.00 60.65 59.61 3gyl s ILE 121 Cb -0.10 -3.39 -0.10 0.00 0.13 0.00 0.00 42.46 39.00 3gyl s ILE 121 CO 0.32 0.55 1.27 -0.44 -1.91 0.00 0.00 174.94 174.72 3gyl s SER 122 N -1.25 6.81 -0.01 4.50 0.01 -1.26 -4.70 113.70 117.80 3gyl s SER 122 Ca 0.18 2.61 -0.13 0.00 1.31 0.00 0.00 55.95 59.91 3gyl s SER 122 Cb -0.12 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 3gyl s SER 122 CO 0.07 -0.50 0.37 -0.76 0.41 0.00 0.00 173.24 172.83 3gyl s LEU 123 N -1.81 4.46 0.63 2.44 1.43 -1.26 -1.26 118.68 123.30 3gyl s LEU 123 Ca 0.49 0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 54.32 3gyl s LEU 123 Cb -0.38 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 3gyl s LEU 123 CO 0.50 0.33 1.08 -2.16 0.23 0.00 0.00 176.35 176.33 3gyl s PRO 124 N -1.10 3.08 0.82 1.29 0.04 -1.26 -4.94 135.00 132.92 3gyl s PRO 124 Ca 0.23 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 3gyl s PRO 124 Cb -0.16 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.48 3gyl s PRO 124 CO 0.12 -1.01 1.16 0.00 0.04 0.00 0.00 177.00 177.31 3gyl s ALA 125 N -2.47 1.85 0.28 8.56 0.00 -1.26 -4.56 121.76 124.16 3gyl s ALA 125 Ca 0.64 0.65 0.01 0.00 0.00 0.00 0.00 51.96 53.27 3gyl s ALA 125 Cb -0.17 -3.43 0.57 0.00 0.00 0.00 0.00 23.12 20.09 3gyl s ALA 125 CO 0.40 -2.26 1.81 0.00 0.00 0.00 0.00 175.76 175.71 3gyl h ALA 126 N -1.15 1.48 -0.53 0.00 0.00 -1.93 -2.04 119.26 115.09 3gyl h ALA 126 Ca -0.45 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3gyl h ALA 126 Cb 1.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3gyl h ALA 126 CO 0.46 0.11 0.04 1.04 0.00 0.00 0.00 179.25 180.91 3gyl n GLN 127 N -4.70 4.27 -2.17 0.00 1.13 -1.26 -4.61 117.38 110.04 3gyl n GLN 127 Ca 0.19 -3.10 -0.42 0.00 -1.94 0.00 0.00 57.00 51.74 3gyl n GLN 127 Cb 0.40 -2.17 -0.03 0.00 0.11 0.00 0.00 30.24 28.55 3gyl n GLN 127 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gyl s ALA 128 N -2.84 3.59 -0.16 -1.58 0.00 -0.77 -5.00 121.76 115.00 3gyl s ALA 128 Ca 0.52 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 3gyl s ALA 128 Cb 0.41 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3gyl s ALA 128 CO 0.14 -0.61 0.02 -1.12 0.00 0.00 0.00 175.76 174.19 3gyl s SER 129 N 1.00 5.30 -0.26 0.00 0.01 -1.26 -4.94 113.70 113.55 3gyl s SER 129 Ca 0.64 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.86 3gyl s SER 129 Cb -0.37 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3gyl s SER 129 CO 0.31 0.19 0.01 -0.36 0.41 0.00 0.00 173.24 173.81 3gyl s PHE 130 N 0.24 3.07 0.52 2.43 0.08 -1.26 -5.09 117.98 117.97 3gyl s PHE 130 Ca 0.01 -1.05 -0.20 0.00 0.12 0.00 0.00 56.93 55.81 3gyl s PHE 130 Cb -0.13 -2.16 -0.07 0.00 -0.57 0.00 0.00 43.02 40.09 3gyl s PHE 130 CO 0.01 -0.58 1.12 -1.25 -0.10 0.00 0.00 175.22 174.42 3gyl s PRO 131 N 1.46 3.51 0.19 0.24 0.04 -1.26 -4.95 135.00 134.23 3gyl s PRO 131 Ca 0.03 1.60 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 3gyl s PRO 131 Cb -0.16 -2.09 -0.16 0.00 0.04 0.00 0.00 34.50 32.13 3gyl s PRO 131 CO -0.01 -0.72 1.06 0.09 0.04 0.00 0.00 177.00 177.46 3gyl n ASN 132 N -1.09 0.96 0.00 6.66 3.02 -1.26 -1.48 115.26 122.07 3gyl n ASN 132 Ca 0.10 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.80 3gyl n ASN 132 Cb 0.51 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3gyl n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gyl n GLY 133 N 1.84 1.75 3.74 7.41 0.00 0.25 -4.91 105.19 115.28 3gyl n GLY 133 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gyl n GLY 133 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gyl s LEU 134 N 0.00 4.35 -0.62 0.99 2.96 -0.55 -4.37 118.68 121.44 3gyl s LEU 134 Ca 0.00 2.94 -0.24 0.00 -0.22 0.00 0.00 54.13 56.61 3gyl s LEU 134 Cb 0.00 -3.63 0.05 0.00 0.50 0.00 0.00 46.19 43.11 3gyl s LEU 134 CO 0.00 -0.94 1.01 -1.00 -1.32 0.00 0.00 176.35 174.10 3gyl s HIS 135 N 0.27 2.66 0.49 5.38 3.76 -1.26 -1.09 115.29 125.50 3gyl s HIS 135 Ca 0.66 -0.22 0.08 0.00 -0.15 0.00 0.00 55.06 55.43 3gyl s HIS 135 Cb -0.48 -4.26 0.03 0.00 1.11 0.00 0.00 32.58 28.98 3gyl s HIS 135 CO 0.44 -1.59 0.57 0.00 -0.85 0.00 0.00 174.74 173.31 3gyl s THR 137 N -2.55 1.28 -0.05 0.00 2.01 0.00 -0.17 115.64 116.16 3gyl s THR 137 Ca 0.52 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 3gyl s THR 137 Cb -0.06 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3gyl s THR 137 CO 0.32 0.38 0.05 0.54 -0.69 0.00 0.00 174.62 175.22 3gyl s VAL 138 N 0.51 4.62 0.10 3.82 0.11 -0.32 -0.77 120.40 128.47 3gyl s VAL 138 Ca -0.13 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 3gyl s VAL 138 Cb -0.15 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 3gyl s VAL 138 CO 0.04 0.50 -0.11 0.42 -3.33 0.00 0.00 175.10 172.62 3gyl s THR 139 N -1.03 1.00 0.00 5.04 -4.23 -1.18 -0.87 115.64 114.36 3gyl s THR 139 Ca 0.17 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 3gyl s THR 139 Cb -0.12 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.36 3gyl s THR 139 CO 0.07 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 3gyl n GLY 140 N 0.59 0.11 0.92 3.99 0.00 -0.48 -4.49 105.19 105.84 3gyl n GLY 140 Ca -0.16 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 44.85 3gyl n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gyl n TRP 141 N -0.47 0.95 -1.19 1.61 8.01 -1.26 -1.77 117.44 123.31 3gyl n TRP 141 Ca 0.00 -1.09 -0.15 0.00 -1.31 0.00 0.00 57.50 54.94 3gyl n TRP 141 Cb 0.00 -0.36 0.12 0.00 -2.01 0.00 0.00 31.31 29.06 3gyl n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3gyl n GLY 142 N -0.75 -1.85 3.71 6.99 0.00 -1.25 -4.88 105.19 107.16 3gyl n GLY 142 Ca 0.25 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 3gyl n GLY 142 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gyl n HIS 143 N -3.26 2.00 1.18 1.61 8.25 0.09 -3.06 115.22 122.03 3gyl n HIS 143 Ca 0.08 0.44 0.13 0.00 -0.26 0.00 0.00 57.72 58.11 3gyl n HIS 143 Cb 0.30 -2.32 0.24 0.00 1.12 0.00 0.00 29.99 29.33 3gyl n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3gyl n VAL 144 N -1.09 0.00 -3.63 1.59 0.24 -0.04 -0.19 118.33 115.21 3gyl n VAL 144 Ca 0.11 -0.35 -0.03 0.00 -2.04 0.00 0.00 64.34 62.02 3gyl n VAL 144 Cb 0.44 1.05 -0.01 0.00 -1.47 0.00 0.00 33.84 33.85 3gyl n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gyl s ALA 144 N -2.11 -1.97 -0.01 2.33 0.00 -1.21 -4.29 121.76 114.50 3gyl s ALA 144 Ca 0.29 0.81 -0.35 0.00 0.00 0.00 0.00 51.96 52.71 3gyl s ALA 144 Cb 0.20 0.34 -0.14 0.00 0.00 0.00 0.00 23.12 23.52 3gyl s ALA 144 CO 0.37 -0.88 1.69 -2.30 0.00 0.00 0.00 175.76 174.64 3gyl n PRO 144 N -0.35 1.90 -1.81 0.00 -0.02 -1.26 -1.09 135.00 132.37 3gyl n PRO 144 Ca -0.06 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 3gyl n PRO 144 Cb 0.61 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3gyl n PRO 144 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3gyl n SER 144 N 4.84 -5.51 -4.01 2.55 7.64 -1.26 -4.97 113.62 112.90 3gyl n SER 144 Ca 0.21 0.35 -0.31 0.00 1.01 0.00 0.00 58.87 60.13 3gyl n SER 144 Cb 0.26 -4.71 -0.15 0.00 -1.01 0.00 0.00 64.21 58.59 3gyl n SER 144 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gyl s VAL 144 N -2.82 1.83 0.00 0.44 1.01 -0.25 -5.09 120.40 115.53 3gyl s VAL 144 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.63 3gyl s VAL 144 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3gyl s VAL 144 CO 0.00 -0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 3gyl n SER 144 N 4.57 0.00 -4.20 3.32 3.41 -1.26 -0.86 113.62 118.60 3gyl n SER 144 Ca -0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.25 3gyl n SER 144 Cb 0.44 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 3gyl n SER 144 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gyl s LEU 144 N 0.00 2.18 0.46 1.04 2.96 -1.26 -4.55 118.68 119.50 3gyl s LEU 144 Ca 0.00 -0.50 -0.24 0.00 -0.22 0.00 0.00 54.13 53.17 3gyl s LEU 144 Cb 0.00 -0.78 -0.09 0.00 0.50 0.00 0.00 46.19 45.83 3gyl s LEU 144 CO 0.00 0.09 1.23 1.07 -1.32 0.00 0.00 176.35 177.41 3gyl n THR 144 N 1.81 2.83 0.50 3.68 5.66 -1.26 -0.58 114.28 126.91 3gyl n THR 144 Ca -0.18 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.36 3gyl n THR 144 Cb 0.54 -1.50 0.16 0.00 -1.55 0.00 0.00 70.33 67.99 3gyl n THR 144 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3gyl n PRO 144 N -0.19 2.32 -3.09 1.09 -0.04 -1.26 -4.98 135.00 128.85 3gyl n PRO 144 Ca 0.08 -1.30 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 3gyl n PRO 144 Cb 0.41 -1.60 0.05 0.00 -0.04 0.00 0.00 33.50 32.32 3gyl n PRO 144 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gyl n LYS 153 N 0.35 -1.89 -2.05 0.54 5.02 0.25 -1.39 118.16 118.99 3gyl n LYS 153 Ca 0.12 0.97 -0.41 0.00 -2.02 0.00 0.00 58.31 56.96 3gyl n LYS 153 Cb 0.51 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.95 3gyl n LYS 153 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3gyl s PRO 154 N -3.98 4.30 0.18 1.97 0.04 -1.26 -1.26 135.00 135.00 3gyl s PRO 154 Ca 0.32 2.28 -0.33 0.00 0.04 0.00 0.00 61.00 63.32 3gyl s PRO 154 Cb -0.04 -3.06 -0.14 0.00 0.04 0.00 0.00 34.50 31.30 3gyl s PRO 154 CO 0.69 -0.28 1.53 -0.11 0.04 0.00 0.00 177.00 178.87 3gyl n LEU 155 N 1.03 3.09 -4.93 -3.56 7.94 -0.32 -4.85 117.00 115.40 3gyl n LEU 155 Ca 0.01 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.74 3gyl n LEU 155 Cb 0.41 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.90 3gyl n LEU 155 CO 0.60 -0.35 -0.00 -1.10 -1.11 0.00 0.00 177.39 175.43 3gyl s GLN 156 N 0.52 3.51 0.02 1.96 -1.52 -0.73 -0.62 119.66 122.81 3gyl s GLN 156 Ca 0.76 -0.36 -0.02 0.00 -1.95 0.00 0.00 55.36 53.78 3gyl s GLN 156 Cb -0.67 -2.87 -0.02 0.00 -0.22 0.00 0.00 33.01 29.23 3gyl s GLN 156 CO 0.41 0.43 0.02 1.14 -0.25 0.00 0.00 175.29 177.05 3gyl s GLN 157 N -3.22 0.42 -0.09 2.91 -2.07 0.25 -1.39 119.66 116.46 3gyl s GLN 157 Ca 0.38 -0.66 -0.04 0.00 -1.82 0.00 0.00 55.36 53.22 3gyl s GLN 157 Cb -0.11 0.16 0.05 0.00 -1.09 0.00 0.00 33.01 32.02 3gyl s GLN 157 CO 0.29 -0.08 0.20 -1.17 -1.32 0.00 0.00 175.29 173.20 3gyl s LEU 158 N -1.71 0.10 -0.04 2.60 2.96 -0.05 -1.01 118.68 121.54 3gyl s LEU 158 Ca -0.12 0.42 -0.27 0.00 -0.22 0.00 0.00 54.13 53.95 3gyl s LEU 158 Cb -0.06 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.07 3gyl s LEU 158 CO -0.02 -0.21 0.86 -0.70 -1.32 0.00 0.00 176.35 174.95 3gyl s GLU 159 N 1.95 4.49 -0.02 1.98 2.12 -1.26 -1.17 118.70 126.79 3gyl s GLU 159 Ca -0.02 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3gyl s GLU 159 Cb -0.12 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.83 3gyl s GLU 159 CO -0.07 -0.02 0.01 0.14 -0.54 0.00 0.00 175.26 174.78 3gyl s VAL 160 N 0.99 0.10 0.32 3.70 -7.23 0.76 -4.97 120.40 114.06 3gyl s VAL 160 Ca 0.45 0.09 -0.26 0.00 -1.81 0.00 0.00 61.98 60.45 3gyl s VAL 160 Cb -0.19 -0.18 -0.10 0.00 0.56 0.00 0.00 36.38 36.47 3gyl s VAL 160 CO 0.23 0.11 0.95 -2.16 -0.31 0.00 0.00 175.10 173.91 3gyl s PRO 161 N 0.82 4.60 0.30 4.82 0.04 -1.26 -1.01 135.00 143.30 3gyl s PRO 161 Ca -0.08 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 3gyl s PRO 161 Cb -0.11 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 3gyl s PRO 161 CO -0.02 0.29 1.33 -0.51 0.04 0.00 0.00 177.00 178.13 3gyl s LEU 162 N -1.98 4.42 -0.12 -3.56 1.43 -0.25 -1.67 118.68 116.96 3gyl s LEU 162 Ca 0.49 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 56.25 3gyl s LEU 162 Cb -0.20 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3gyl s LEU 162 CO 0.25 -0.56 -0.17 -0.63 0.23 0.00 0.00 176.35 175.47 3gyl s ILE 163 N -0.74 1.64 0.62 -0.59 1.01 0.22 -0.58 121.20 122.78 3gyl s ILE 163 Ca 0.52 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3gyl s ILE 163 Cb -0.40 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3gyl s ILE 163 CO 0.49 0.47 0.95 -1.20 0.00 0.00 0.00 174.94 175.65 3gyl n SER 164 N 4.21 0.68 0.25 3.58 7.64 -1.26 -1.44 113.62 127.28 3gyl n SER 164 Ca -0.19 0.78 0.08 0.00 1.01 0.00 0.00 58.87 60.55 3gyl n SER 164 Cb 0.51 -1.39 0.62 0.00 -1.01 0.00 0.00 64.21 62.94 3gyl n SER 164 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 3gyl h ARG 165 N 0.36 0.01 -0.24 1.43 0.11 -1.93 0.66 114.38 114.79 3gyl h ARG 165 Ca -0.49 -0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.53 3gyl h ARG 165 Cb 1.36 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 3gyl h ARG 165 CO 0.50 0.03 -0.09 0.93 0.10 0.00 0.00 179.97 181.44 3gyl h GLU 166 N 0.01 0.48 -0.57 0.08 3.07 -1.93 0.87 114.58 116.59 3gyl h GLU 166 Ca 0.00 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.60 3gyl h GLU 166 Cb 0.04 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3gyl h GLU 166 CO 0.00 0.73 0.09 1.79 -1.40 0.00 0.00 179.01 180.22 3gyl h THR 167 N 0.21 1.26 -0.67 1.13 1.35 -1.83 -2.85 112.91 111.50 3gyl h THR 167 Ca 0.06 -0.98 -0.03 0.00 -0.55 0.00 0.00 66.41 64.91 3gyl h THR 167 Cb 0.57 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 3gyl h THR 167 CO 0.03 0.36 0.31 0.00 -0.25 0.00 0.00 175.52 175.97 3gyl h ASN 169 N 0.93 0.86 0.28 0.00 -0.26 -0.70 -0.39 115.58 116.30 3gyl h ASN 169 Ca 0.23 -0.10 -0.12 0.00 -0.56 0.00 0.00 56.30 55.75 3gyl h ASN 169 Cb 0.14 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 3gyl h ASN 169 CO -0.03 0.74 -0.50 0.28 -1.06 0.00 0.00 177.43 176.87 3gyl h SER 170 N 0.95 0.27 -0.49 5.81 0.02 -1.14 -2.07 113.55 116.89 3gyl h SER 170 Ca 0.23 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3gyl h SER 170 Cb 0.12 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3gyl h SER 170 CO -0.03 0.72 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.31 3gyl h LEU 171 N 0.20 0.86 -1.77 5.07 3.38 -0.59 -2.75 115.31 119.71 3gyl h LEU 171 Ca 0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3gyl h LEU 171 Cb 0.95 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3gyl h LEU 171 CO 0.08 0.96 0.00 1.88 0.09 0.00 0.00 178.44 181.44 3gyl h TYR 172 N 0.73 0.00 0.00 1.13 -1.99 -0.87 -1.06 116.97 114.92 3gyl h TYR 172 Ca 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 3gyl h TYR 172 Cb 0.52 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.25 3gyl h TYR 172 CO 0.04 0.00 -0.01 -0.91 -0.00 0.00 0.00 178.16 177.28 3gyl h ASN 172 N 0.00 0.00 -3.11 3.88 2.35 -1.06 -3.39 115.58 114.25 3gyl h ASN 172 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 3gyl h ASN 172 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3gyl h ASN 172 CO 0.00 0.01 0.69 -0.63 -1.65 0.00 0.00 177.43 175.85 3gyl s ILE 172 N -3.67 4.42 -1.41 2.81 1.01 -0.40 -3.16 121.20 120.80 3gyl s ILE 172 Ca 0.01 1.72 -0.10 0.00 0.00 0.00 0.00 60.65 62.29 3gyl s ILE 172 Cb 0.09 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.52 3gyl s ILE 172 CO 0.55 -0.03 0.64 0.47 0.00 0.00 0.00 174.94 176.57 3gyl n ASP 172 N 5.37 -4.46 -4.85 3.58 8.00 -1.26 -4.94 116.55 118.00 3gyl n ASP 172 Ca 0.11 -0.48 -0.31 0.00 0.71 0.00 0.00 54.79 54.82 3gyl n ASP 172 Cb 0.47 -3.63 0.02 0.00 -0.02 0.00 0.00 41.12 37.95 3gyl n ASP 172 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gyl s ALA 172 N -3.08 2.96 -0.05 2.24 0.00 -1.19 -5.02 121.76 117.62 3gyl s ALA 172 Ca 0.46 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 3gyl s ALA 172 Cb -0.23 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3gyl s ALA 172 CO 0.56 -0.79 0.89 0.15 0.00 0.00 0.00 175.76 176.57 3gyl s LYS 172 N -4.94 4.47 0.00 0.00 1.02 -1.26 -5.03 119.74 114.00 3gyl s LYS 172 Ca 0.57 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.78 3gyl s LYS 172 Cb -0.12 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 3gyl s LYS 172 CO 0.51 -0.09 0.00 -2.30 -0.92 0.00 0.00 175.35 172.54 3gyl n PRO 172 N 4.20 0.00 -0.35 -1.68 -0.02 -1.26 -4.76 135.00 131.13 3gyl n PRO 172 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3gyl n PRO 172 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3gyl n PRO 172 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gyl n GLU 172 N 1.55 0.00 0.10 -0.52 1.02 -1.26 -5.11 120.64 116.43 3gyl n GLU 172 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 3gyl n GLU 172 Cb 0.00 -0.17 -0.14 0.00 -0.02 0.00 0.00 31.44 31.10 3gyl n GLU 172 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gyl h PRO 172 N 0.30 0.29 -7.01 3.49 0.13 -2.00 -3.48 132.00 123.72 3gyl h PRO 172 Ca 0.00 -0.49 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 3gyl h PRO 172 Cb 0.00 0.18 -0.19 0.00 0.13 0.00 0.00 31.00 31.12 3gyl h PRO 172 CO 0.00 1.22 -0.96 -2.39 -0.23 0.00 0.00 178.00 175.64 3gyl n HIS 172 N -3.53 -1.31 -3.93 1.56 1.44 -1.26 -4.87 115.22 103.31 3gyl n HIS 172 Ca -0.10 0.63 -0.36 0.00 -2.01 0.00 0.00 57.72 55.88 3gyl n HIS 172 Cb 1.03 -2.91 -0.12 0.00 0.12 0.00 0.00 29.99 28.11 3gyl n HIS 172 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 3gyl s PHE 172 N -4.30 3.09 -0.46 -1.40 5.36 -1.26 -4.89 117.98 114.12 3gyl s PHE 172 Ca 0.02 -0.36 -0.24 0.00 -0.96 0.00 0.00 56.93 55.40 3gyl s PHE 172 Cb -0.01 -2.15 0.03 0.00 -0.34 0.00 0.00 43.02 40.54 3gyl s PHE 172 CO 0.98 -0.23 0.83 0.54 -1.46 0.00 0.00 175.22 175.88 3gyl s VAL 172 N 1.17 4.59 1.01 3.12 0.11 -1.26 -4.97 120.40 124.17 3gyl s VAL 172 Ca 0.04 0.45 -0.13 0.00 -2.93 0.00 0.00 61.98 59.41 3gyl s VAL 172 Cb -0.14 -4.37 0.20 0.00 -1.53 0.00 0.00 36.38 30.53 3gyl s VAL 172 CO 0.03 -0.79 1.10 -1.10 -3.33 0.00 0.00 175.10 171.01 3gyl s GLN 172 N 3.44 0.30 0.59 1.54 -1.52 -1.26 -4.88 119.66 117.87 3gyl s GLN 172 Ca 0.31 0.39 0.37 0.00 -1.95 0.00 0.00 55.36 54.48 3gyl s GLN 172 Cb -0.12 -1.73 1.83 0.00 -0.22 0.00 0.00 33.01 32.77 3gyl s GLN 172 CO 0.23 -2.79 2.17 0.93 -0.25 0.00 0.00 175.29 175.58 3gyl h GLU 178 N -1.93 0.00 -0.70 2.91 5.08 -2.01 -1.46 114.58 116.47 3gyl h GLU 178 Ca -0.53 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 3gyl h GLU 178 Cb 1.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3gyl h GLU 178 CO 0.56 0.03 0.08 -0.40 -1.00 0.00 0.00 179.01 178.27 3gyl n ASP 179 N -3.21 4.76 -4.36 1.42 5.75 -1.26 -4.95 116.55 114.71 3gyl n ASP 179 Ca -0.01 -2.85 -0.19 0.00 -0.01 0.00 0.00 54.79 51.73 3gyl n ASP 179 Cb 0.19 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.51 3gyl n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gyl s MET 180 N -2.50 1.37 0.14 0.11 -1.94 -0.55 -0.36 119.30 115.57 3gyl s MET 180 Ca 0.46 -1.64 -0.02 0.00 -1.71 0.00 0.00 55.69 52.78 3gyl s MET 180 Cb 0.35 -1.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 3gyl s MET 180 CO 0.13 0.10 0.09 0.54 -0.01 0.00 0.00 175.02 175.87 3gyl s VAL 181 N -3.07 0.09 0.42 -6.03 0.11 0.02 -4.58 120.40 107.36 3gyl s VAL 181 Ca 0.25 -1.87 0.06 0.00 -2.93 0.00 0.00 61.98 57.49 3gyl s VAL 181 Cb 0.02 -2.08 -0.07 0.00 -1.53 0.00 0.00 36.38 32.72 3gyl s VAL 181 CO 0.08 -0.39 0.03 0.00 -3.33 0.00 0.00 175.10 171.49 3gyl s ALA 183 N -2.72 -1.78 0.00 0.00 0.00 -0.51 -0.61 121.76 116.14 3gyl s ALA 183 Ca 0.32 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.09 3gyl s ALA 183 Cb 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3gyl s ALA 183 CO 0.17 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3gyl n GLY 184 N 2.13 0.57 3.06 0.00 0.00 -0.67 -1.90 105.19 108.39 3gyl n GLY 184 Ca -0.16 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 3gyl n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gyl s TYR 184 N -3.96 0.62 -0.04 1.61 1.51 -1.26 -4.27 117.35 111.55 3gyl s TYR 184 Ca 0.00 -0.57 0.14 0.00 -1.01 0.00 0.00 57.07 55.63 3gyl s TYR 184 Cb 0.00 -0.38 0.10 0.00 -0.11 0.00 0.00 41.96 41.57 3gyl s TYR 184 CO 0.00 -0.12 1.45 -0.39 -1.11 0.00 0.00 175.55 175.38 3gyl h VAL 184 N 4.32 1.07 0.00 0.71 -1.51 -1.98 -3.38 116.25 115.48 3gyl h VAL 184 Ca -0.35 -2.39 0.00 0.00 -1.23 0.00 0.00 66.70 62.73 3gyl h VAL 184 Cb 1.20 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.80 3gyl h VAL 184 CO 0.44 0.59 0.00 -1.84 -1.23 0.00 0.00 177.57 175.53 3gyl n GLU 184 N -3.31 3.25 -0.83 5.19 0.00 -1.26 -0.55 120.64 123.13 3gyl n GLU 184 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 3gyl n GLU 184 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.19 3gyl n GLU 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gyl n GLY 184 N 2.14 0.93 2.55 -1.84 0.00 0.18 -4.55 105.19 104.60 3gyl n GLY 184 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3gyl n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyl s LYS 188 N -0.18 0.25 0.08 1.61 1.02 -1.25 -3.29 119.74 117.98 3gyl s LYS 188 Ca 0.00 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 55.11 3gyl s LYS 188 Cb 0.00 -1.23 0.08 0.00 -0.52 0.00 0.00 37.83 36.16 3gyl s LYS 188 CO 0.00 -1.03 0.84 0.34 -0.92 0.00 0.00 175.35 174.58 3gyl s ASP 189 N 2.00 -0.35 0.41 2.83 2.15 -0.46 -4.61 116.67 118.63 3gyl s ASP 189 Ca 0.10 -0.14 -0.20 0.00 0.43 0.00 0.00 52.55 52.74 3gyl s ASP 189 Cb -0.17 0.48 -0.11 0.00 -0.30 0.00 0.00 42.92 42.82 3gyl s ASP 189 CO -0.34 -0.81 0.91 0.00 -0.17 0.00 0.00 175.17 174.77 3gyl s ALA 190 N -3.34 3.10 0.17 3.66 0.00 -1.26 -0.25 121.76 123.84 3gyl s ALA 190 Ca 0.06 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.39 3gyl s ALA 190 Cb -0.01 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3gyl s ALA 190 CO -0.06 0.17 0.09 0.00 0.00 0.00 0.00 175.76 175.96 3gyl n GLN 192 N -0.37 2.24 0.00 0.00 7.27 -1.26 -0.65 117.38 124.61 3gyl n GLN 192 Ca -0.00 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.88 3gyl n GLN 192 Cb 0.28 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.31 3gyl n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gyl n GLY 193 N 3.77 1.59 0.08 1.69 0.00 -1.26 -0.73 105.19 110.34 3gyl n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3gyl n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gyl n ASP 194 N 0.00 0.73 -4.75 1.61 8.00 0.17 -3.63 116.55 118.69 3gyl n ASP 194 Ca 0.00 0.17 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 3gyl n ASP 194 Cb 0.00 0.51 0.05 0.00 -0.02 0.00 0.00 41.12 41.66 3gyl n ASP 194 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gyl s SER 195 N -4.79 4.96 0.00 -2.24 1.04 -1.25 -1.79 113.70 109.63 3gyl s SER 195 Ca 0.02 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.80 3gyl s SER 195 Cb 0.12 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.64 3gyl s SER 195 CO 0.78 -1.75 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3gyl n GLY 196 N 0.39 3.11 3.94 7.32 0.00 0.39 -0.53 105.19 119.82 3gyl n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3gyl n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gyl s GLY 197 N -1.70 1.77 0.21 -0.02 0.00 -0.74 -3.47 107.32 103.37 3gyl s GLY 197 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 44.72 43.22 3gyl s GLY 197 CO 0.00 -0.51 0.82 2.56 0.00 0.00 0.00 173.10 175.98 3gyl s PRO 198 N -5.80 4.59 -0.40 2.90 0.04 -1.26 -0.87 135.00 134.20 3gyl s PRO 198 Ca 0.73 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 3gyl s PRO 198 Cb -0.04 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.38 3gyl s PRO 198 CO 0.52 0.50 0.25 -1.17 0.04 0.00 0.00 177.00 177.14 3gyl s LEU 199 N -1.38 4.95 -0.22 -3.56 2.96 0.38 -3.11 118.68 118.69 3gyl s LEU 199 Ca 0.40 -1.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 3gyl s LEU 199 Cb -0.22 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3gyl s LEU 199 CO 0.26 -0.45 0.19 -0.44 -1.32 0.00 0.00 176.35 174.59 3gyl s SER 200 N 1.80 6.19 0.05 3.68 0.01 0.05 -1.07 113.70 124.41 3gyl s SER 200 Ca 0.03 0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.58 3gyl s SER 200 Cb -0.21 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 3gyl s SER 200 CO 0.06 0.07 -0.23 0.00 0.41 0.00 0.00 173.24 173.54 3gyl s PRO 202 N -1.35 4.51 -0.09 0.00 0.04 -1.26 -0.96 135.00 135.89 3gyl s PRO 202 Ca 0.13 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 3gyl s PRO 202 Cb -0.10 -3.42 0.05 0.00 0.04 0.00 0.00 34.50 31.07 3gyl s PRO 202 CO 0.03 0.12 0.18 0.08 0.04 0.00 0.00 177.00 177.46 3gyl s VAL 203 N 0.49 -0.29 -1.56 -0.36 1.01 -0.31 -4.93 120.40 114.46 3gyl s VAL 203 Ca 0.42 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 3gyl s VAL 203 Cb -0.20 -0.32 0.08 0.00 0.00 0.00 0.00 36.38 35.94 3gyl s VAL 203 CO 0.23 0.14 0.65 -0.62 0.00 0.00 0.00 175.10 175.51 3gyl n GLU 204 N 5.33 -3.52 -0.07 2.72 -0.58 -1.26 -0.97 120.64 122.29 3gyl n GLU 204 Ca -0.05 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3gyl n GLU 204 Cb 0.50 -4.90 0.00 0.00 -0.57 0.00 0.00 31.44 26.46 3gyl n GLU 204 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gyl n GLY 205 N -1.69 1.98 3.90 0.62 0.00 -1.26 -5.01 105.19 103.74 3gyl n GLY 205 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3gyl n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyl s LEU 206 N 0.00 2.63 -0.05 0.99 1.43 -0.14 -5.14 118.68 118.40 3gyl s LEU 206 Ca 0.00 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.85 3gyl s LEU 206 Cb 0.00 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 3gyl s LEU 206 CO 0.00 -1.11 -0.20 0.26 0.23 0.00 0.00 176.35 175.53 3gyl s TRP 207 N -2.79 1.96 0.17 0.29 0.52 -1.26 -1.16 118.94 116.66 3gyl s TRP 207 Ca 0.31 -0.57 0.11 0.00 0.02 0.00 0.00 56.10 55.97 3gyl s TRP 207 Cb -0.02 -1.30 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 3gyl s TRP 207 CO 0.19 -0.18 -0.23 0.71 0.02 0.00 0.00 176.95 177.46 3gyl s TYR 208 N -0.04 2.19 -0.86 -1.98 1.51 -0.13 -4.04 117.35 114.00 3gyl s TYR 208 Ca -0.04 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.39 3gyl s TYR 208 Cb -0.12 -1.11 0.04 0.00 -0.11 0.00 0.00 41.96 40.66 3gyl s TYR 208 CO 0.03 0.42 1.34 -1.17 -1.11 0.00 0.00 175.55 175.05 3gyl s LEU 209 N -2.48 3.40 0.04 -1.29 2.96 -0.39 -0.88 118.68 120.04 3gyl s LEU 209 Ca 0.17 -0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 3gyl s LEU 209 Cb -0.08 -2.55 -0.32 0.00 0.50 0.00 0.00 46.19 43.73 3gyl s LEU 209 CO 0.08 -1.66 1.05 0.74 -1.32 0.00 0.00 176.35 175.24 3gyl h THR 210 N 6.35 1.30 -4.14 3.68 2.02 -1.44 -3.39 112.91 117.28 3gyl h THR 210 Ca -0.07 -2.63 -0.13 0.00 0.77 0.00 0.00 66.41 64.35 3gyl h THR 210 Cb 1.03 2.90 -0.14 0.00 -1.74 0.00 0.00 68.15 70.20 3gyl h THR 210 CO 1.34 0.79 -0.52 -0.83 0.37 0.00 0.00 175.52 176.66 3gyl s GLY 211 N -4.54 0.58 -0.12 2.16 0.00 -1.04 -1.43 107.32 102.93 3gyl s GLY 211 Ca -0.09 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.53 3gyl s GLY 211 CO 0.94 -1.12 -0.14 -0.42 0.00 0.00 0.00 173.10 172.36 3gyl s ILE 212 N -3.97 1.43 0.04 0.90 1.01 -0.04 -0.47 121.20 120.09 3gyl s ILE 212 Ca 0.15 -0.58 -0.33 0.00 0.00 0.00 0.00 60.65 59.89 3gyl s ILE 212 Cb 0.06 -1.33 -0.12 0.00 0.01 0.00 0.00 42.46 41.08 3gyl s ILE 212 CO -0.04 0.43 1.80 0.52 0.00 0.00 0.00 174.94 177.65 3gyl n VAL 213 N 4.43 0.39 0.00 2.92 0.31 -0.05 -0.59 118.33 125.74 3gyl n VAL 213 Ca -0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3gyl n VAL 213 Cb 0.51 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3gyl n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gyl n SER 214 N 5.61 0.00 -4.81 4.52 2.88 0.28 -0.46 113.62 121.63 3gyl n SER 214 Ca 0.20 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.42 3gyl n SER 214 Cb 0.32 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.82 3gyl n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3gyl s TRP 215 N 4.42 3.07 0.00 0.66 1.48 -1.26 -4.77 118.94 122.54 3gyl s TRP 215 Ca 0.00 1.45 0.00 0.00 -1.06 0.00 0.00 56.10 56.49 3gyl s TRP 215 Cb 0.00 -2.91 0.00 0.00 -1.16 0.00 0.00 33.47 29.40 3gyl s TRP 215 CO 0.00 -1.21 0.00 0.41 -4.06 0.00 0.00 176.95 172.09 3gyl n GLY 216 N -1.72 4.20 0.10 3.67 0.00 -1.26 -4.48 105.19 105.70 3gyl n GLY 216 Ca 0.08 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 3gyl n GLY 216 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gyl n ASP 217 N 0.00 0.42 -4.76 1.61 8.00 -1.26 -4.91 116.55 115.65 3gyl n ASP 217 Ca 0.00 0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 3gyl n ASP 217 Cb 0.00 0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 3gyl n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gyl n ALA 218 N -2.77 2.09 -3.54 2.24 0.00 -1.26 -4.80 120.51 112.47 3gyl n ALA 218 Ca -0.31 0.28 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 3gyl n ALA 218 Cb 1.12 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 3gyl n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gyl n GLY 220 N 2.63 0.78 3.75 0.00 0.00 -1.26 -4.30 105.19 106.79 3gyl n GLY 220 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3gyl n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyl s ALA 221 N -2.11 2.62 0.66 4.61 0.00 -1.26 0.48 121.76 126.76 3gyl s ALA 221 Ca 0.00 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 3gyl s ALA 221 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 3gyl s ALA 221 CO 0.00 -1.13 1.21 -0.98 0.00 0.00 0.00 175.76 174.86 3gyl s ARG 222 N -3.21 2.59 -1.64 0.00 1.70 -1.26 -3.45 118.95 113.67 3gyl s ARG 222 Ca 0.75 1.80 -0.00 0.00 -0.47 0.00 0.00 55.73 57.81 3gyl s ARG 222 Cb -0.31 -1.88 0.00 0.00 -0.57 0.00 0.00 34.95 32.18 3gyl s ARG 222 CO 0.35 -1.50 0.05 0.09 -1.08 0.00 0.00 175.30 173.22 3gyl n ASN 223 N -2.12 -5.61 -3.14 -2.89 3.02 0.28 -4.90 115.26 99.90 3gyl n ASN 223 Ca 0.14 -0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.47 3gyl n ASN 223 Cb 0.50 -4.63 -0.02 0.00 -0.61 0.00 0.00 39.78 35.02 3gyl n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gyl n ARG 224 N -2.96 0.97 -1.52 3.52 5.12 -1.22 -3.84 116.66 116.73 3gyl n ARG 224 Ca -0.22 -3.21 -0.34 0.00 -1.93 0.00 0.00 57.85 52.15 3gyl n ARG 224 Cb 0.67 -1.63 0.08 0.00 -1.16 0.00 0.00 32.46 30.42 3gyl n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3gyl s PRO 225 N -2.10 2.33 0.47 5.56 0.04 -1.26 -4.80 135.00 135.23 3gyl s PRO 225 Ca 0.38 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 3gyl s PRO 225 Cb 0.34 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.94 3gyl s PRO 225 CO -0.08 -1.67 1.43 0.41 0.04 0.00 0.00 177.00 177.13 3gyl n GLY 226 N 0.12 0.99 3.55 0.56 0.00 -0.80 -4.71 105.19 104.90 3gyl n GLY 226 Ca 0.12 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 3gyl n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyl s VAL 227 N -1.21 3.86 -0.00 1.61 1.01 -1.26 -1.42 120.40 122.99 3gyl s VAL 227 Ca 0.63 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3gyl s VAL 227 Cb -0.44 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3gyl s VAL 227 CO 0.56 0.55 -0.09 -0.31 0.00 0.00 0.00 175.10 175.81 3gyl s TYR 228 N -0.27 0.77 0.07 5.22 1.51 0.35 -0.56 117.35 124.45 3gyl s TYR 228 Ca 0.04 -0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 3gyl s TYR 228 Cb -0.13 -0.49 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 3gyl s TYR 228 CO 0.02 -0.01 1.07 0.99 -1.11 0.00 0.00 175.55 176.51 3gyl s THR 229 N -0.30 4.33 -0.13 -0.71 2.01 0.24 -0.80 115.64 120.28 3gyl s THR 229 Ca 0.02 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 3gyl s THR 229 Cb -0.04 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 3gyl s THR 229 CO -0.00 0.19 1.33 -0.76 -0.69 0.00 0.00 174.62 174.69 3gyl s LEU 230 N 0.57 4.22 0.46 4.42 1.43 0.52 -0.86 118.68 129.44 3gyl s LEU 230 Ca 0.53 1.81 0.11 0.00 -1.03 0.00 0.00 54.13 55.56 3gyl s LEU 230 Cb -0.26 -3.54 1.06 0.00 0.03 0.00 0.00 46.19 43.48 3gyl s LEU 230 CO 0.30 -0.77 2.10 0.00 0.23 0.00 0.00 176.35 178.22 3gyl h ALA 231 N 8.32 1.85 -0.56 4.21 0.00 -1.45 -1.96 119.26 129.68 3gyl h ALA 231 Ca -0.30 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3gyl h ALA 231 Cb 1.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3gyl h ALA 231 CO 0.95 0.14 0.37 0.66 0.00 0.00 0.00 179.25 181.37 3gyl h SER 232 N 0.29 0.44 0.45 0.00 4.64 -1.80 -0.30 113.55 117.27 3gyl h SER 232 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3gyl h SER 232 Cb -0.03 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3gyl h SER 232 CO -0.02 0.29 0.00 0.28 -0.87 0.00 0.00 176.83 176.51 3gyl h SER 233 N 0.50 0.00 0.00 4.97 0.02 -1.60 -2.79 113.55 114.65 3gyl h SER 233 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3gyl h SER 233 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3gyl h SER 233 CO -0.07 0.00 -0.03 -1.22 -1.14 0.00 0.00 176.83 174.37 3gyl n TYR 234 N -2.52 0.00 -0.29 3.45 4.01 -0.18 -4.78 117.16 116.85 3gyl n TYR 234 Ca -0.00 -0.66 -0.03 0.00 -0.16 0.00 0.00 57.90 57.06 3gyl n TYR 234 Cb 0.16 -0.09 0.09 0.00 -0.31 0.00 0.00 39.34 39.19 3gyl n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gyl h ALA 235 N 0.00 1.05 -0.29 -0.72 0.00 -1.10 0.77 119.26 118.96 3gyl h ALA 235 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3gyl h ALA 235 Cb 0.80 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gyl h ALA 235 CO 0.00 0.36 -0.15 1.03 0.00 0.00 0.00 179.25 180.49 3gyl h SER 236 N 1.02 0.63 -0.39 0.00 0.87 -1.86 -1.22 113.55 112.61 3gyl h SER 236 Ca 0.31 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3gyl h SER 236 Cb -0.03 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3gyl h SER 236 CO -0.10 0.91 0.11 -0.25 -0.53 0.00 0.00 176.83 176.96 3gyl h TRP 237 N 0.36 0.64 -0.21 2.24 7.01 -1.81 0.44 115.95 124.62 3gyl h TRP 237 Ca 0.06 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.99 3gyl h TRP 237 Cb 0.67 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3gyl h TRP 237 CO 0.06 0.61 0.13 0.82 -2.79 0.00 0.00 178.44 177.28 3gyl h ILE 238 N 0.48 1.07 -0.55 2.65 2.04 -0.80 0.20 117.51 122.60 3gyl h ILE 238 Ca 0.12 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3gyl h ILE 238 Cb 0.29 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3gyl h ILE 238 CO -0.00 0.06 0.12 -0.61 0.00 0.00 0.00 178.15 177.73 3gyl h GLN 239 N 0.27 0.89 -0.11 2.37 4.15 -1.05 -0.90 115.11 120.72 3gyl h GLN 239 Ca 0.07 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.28 3gyl h GLN 239 Cb -0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3gyl h GLN 239 CO -0.02 0.84 0.05 1.03 -1.93 0.00 0.00 178.83 178.80 3gyl h SER 240 N 0.78 0.08 -0.07 -0.69 0.87 -0.64 -1.56 113.55 112.32 3gyl h SER 240 Ca 0.17 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3gyl h SER 240 Cb 0.36 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3gyl h SER 240 CO 0.00 0.06 0.03 0.11 -0.53 0.00 0.00 176.83 176.50 3gyl h LYS 241 N 0.11 0.10 -0.01 2.24 1.79 -0.75 -1.81 116.57 118.24 3gyl h LYS 241 Ca 0.04 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 3gyl h LYS 241 Cb 0.01 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 3gyl h LYS 241 CO -0.03 0.24 -0.66 -0.39 -1.08 0.00 0.00 179.45 177.53 3gyl h VAL 242 N -0.06 1.46 -0.47 0.50 -1.51 -1.17 -0.76 116.25 114.25 3gyl h VAL 242 Ca 0.02 -2.23 -0.10 0.00 -1.23 0.00 0.00 66.70 63.16 3gyl h VAL 242 Cb 0.18 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 3gyl h VAL 242 CO -0.00 0.64 -0.12 0.74 -1.23 0.00 0.00 177.57 177.60 3gyl h THR 243 N 0.03 1.27 -0.26 7.19 2.02 -1.22 0.21 112.91 122.16 3gyl h THR 243 Ca -0.01 -1.25 -0.08 0.00 0.77 0.00 0.00 66.41 65.85 3gyl h THR 243 Cb 1.17 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3gyl h THR 243 CO 0.09 0.43 -0.15 -0.08 0.37 0.00 0.00 175.52 176.18 3gyl h GLU 244 N 0.75 0.56 0.00 6.66 4.81 -1.19 -3.07 114.58 123.11 3gyl h GLU 244 Ca 0.12 -0.26 -0.23 0.00 -0.13 0.00 0.00 59.36 58.87 3gyl h GLU 244 Cb 0.67 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 3gyl h GLU 244 CO 0.05 0.83 -1.26 -0.07 -0.73 0.00 0.00 179.01 177.82 3gyl h LEU 245 N 0.29 0.00 -5.52 1.64 3.38 -1.05 -3.41 115.31 110.64 3gyl h LEU 245 Ca 0.06 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.64 3gyl h LEU 245 Cb 0.67 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.15 3gyl h LEU 245 CO 0.04 0.90 -0.79 1.67 0.09 0.00 0.00 178.44 180.35 3gyl n GLN 246 N -3.17 0.70 -1.76 1.13 7.27 0.74 -5.07 117.38 117.22 3gyl n GLN 246 Ca -0.07 -2.49 -0.41 0.00 0.07 0.00 0.00 57.00 54.09 3gyl n GLN 246 Cb 0.95 -1.37 -0.00 0.00 2.41 0.00 0.00 30.24 32.23 3gyl n GLN 246 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3gyl n PRO 247 N 1.69 2.61 0.00 3.69 -0.04 -1.16 -4.63 135.00 137.16 3gyl n PRO 247 Ca 0.16 0.91 0.14 0.00 -0.04 0.00 0.00 63.50 64.68 3gyl n PRO 247 Cb 0.57 -2.63 0.86 0.00 -0.04 0.00 0.00 33.50 32.26 3gyl n PRO 247 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35