#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gym s THR 17 N 0.00 4.83 0.00 1.39 -1.32 -0.28 -3.82 115.64 116.44 3gym s THR 17 Ca 0.00 0.92 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 3gym s THR 17 Cb 0.00 -4.12 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 3gym s THR 17 CO 0.00 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 3gym n GLY 18 N 4.42 0.72 0.00 6.08 0.00 -1.25 -2.54 105.19 112.62 3gym n GLY 18 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3gym n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gym n GLY 19 N -2.25 1.75 3.45 -0.02 0.00 -1.25 -4.90 105.19 101.96 3gym n GLY 19 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 3gym n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gym s SER 20 N -1.00 -0.34 0.05 1.61 1.04 -0.42 -4.94 113.70 109.69 3gym s SER 20 Ca 0.00 -0.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.82 3gym s SER 20 Cb 0.00 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 3gym s SER 20 CO 0.00 -0.99 1.19 -0.44 0.98 0.00 0.00 173.24 173.99 3gym s SER 21 N -2.82 7.08 0.64 7.02 0.01 -1.26 0.24 113.70 124.60 3gym s SER 21 Ca 0.05 1.98 -0.14 0.00 1.31 0.00 0.00 55.95 59.15 3gym s SER 21 Cb -0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 3gym s SER 21 CO -0.08 -0.48 1.07 0.00 0.41 0.00 0.00 173.24 174.16 3gym s ALA 22 N 1.20 2.66 0.58 1.44 0.00 -0.05 -4.86 121.76 122.73 3gym s ALA 22 Ca 0.58 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 3gym s ALA 22 Cb -0.29 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3gym s ALA 22 CO 0.28 -1.03 1.03 0.08 0.00 0.00 0.00 175.76 176.13 3gym s VAL 23 N -2.59 4.08 0.02 0.00 1.01 -1.26 -4.83 120.40 116.82 3gym s VAL 23 Ca 0.63 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3gym s VAL 23 Cb -0.16 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 3gym s VAL 23 CO 0.43 -0.61 1.65 0.00 0.00 0.00 0.00 175.10 176.57 3gym s ALA 24 N -2.57 3.64 0.00 5.51 0.00 -1.26 -2.14 121.76 124.95 3gym s ALA 24 Ca 0.61 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3gym s ALA 24 Cb -0.14 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3gym s ALA 24 CO 0.37 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3gym n GLY 25 N 4.05 0.80 0.19 0.00 0.00 -1.26 -4.97 105.19 104.00 3gym n GLY 25 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3gym n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gym h GLN 26 N 3.27 0.00 -2.10 1.61 4.15 -1.79 -3.37 115.11 116.88 3gym h GLN 26 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 3gym h GLN 26 Cb 0.00 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.28 3gym h GLN 26 CO 0.00 0.00 -0.99 0.91 -1.93 0.00 0.00 178.83 176.82 3gym n TRP 27 N -2.93 1.57 0.16 3.99 7.02 -1.26 -4.97 117.44 121.03 3gym n TRP 27 Ca 0.04 -3.88 0.05 0.00 -1.02 0.00 0.00 57.50 52.69 3gym n TRP 27 Cb 0.52 -0.44 0.29 0.00 -2.42 0.00 0.00 31.31 29.25 3gym n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3gym n PRO 28 N 0.17 0.08 0.00 -0.99 -0.04 -1.26 -0.40 135.00 132.55 3gym n PRO 28 Ca 0.27 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.40 3gym n PRO 28 Cb 0.56 -2.13 0.18 0.00 -0.04 0.00 0.00 33.50 32.07 3gym n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3gym n TRP 29 N -2.00 0.00 -2.27 0.54 2.14 -0.69 -1.60 117.44 113.56 3gym n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 3gym n TRP 29 Cb 0.40 -0.14 -0.03 0.00 -0.81 0.00 0.00 31.31 30.73 3gym n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3gym s GLN 30 N -2.81 4.39 0.14 -2.67 2.00 0.47 -0.63 119.66 120.55 3gym s GLN 30 Ca 0.15 1.96 0.06 0.00 -2.00 0.00 0.00 55.36 55.54 3gym s GLN 30 Cb 0.18 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 3gym s GLN 30 CO 0.67 -0.30 -0.14 0.14 -0.50 0.00 0.00 175.29 175.16 3gym s VAL 31 N 0.69 1.42 0.01 1.34 -7.23 -0.30 -4.35 120.40 111.99 3gym s VAL 31 Ca 0.60 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 3gym s VAL 31 Cb -0.34 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3gym s VAL 31 CO 0.33 -0.48 0.13 -0.55 -0.31 0.00 0.00 175.10 174.22 3gym s SER 32 N -2.70 6.00 -0.12 4.85 0.15 -0.18 -1.47 113.70 120.23 3gym s SER 32 Ca 0.13 0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.02 3gym s SER 32 Cb -0.03 -1.79 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 3gym s SER 32 CO 0.04 0.25 -0.19 -0.63 1.20 0.00 0.00 173.24 173.90 3gym s ILE 33 N -1.30 1.83 -0.08 6.45 -1.09 0.76 -1.09 121.20 126.69 3gym s ILE 33 Ca 0.27 -0.85 0.04 0.00 -2.23 0.00 0.00 60.65 57.88 3gym s ILE 33 Cb -0.12 -1.64 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3gym s ILE 33 CO 0.18 0.51 -0.23 0.42 -1.23 0.00 0.00 174.94 174.59 3gym s THR 34 N 0.85 2.23 -0.19 2.92 -4.23 -0.71 -0.05 115.64 116.45 3gym s THR 34 Ca -0.08 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 3gym s THR 34 Cb -0.15 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 3gym s THR 34 CO -0.01 0.56 -0.05 -0.47 -0.54 0.00 0.00 174.62 174.11 3gym s TYR 35 N 0.05 2.95 -1.46 3.99 5.04 -0.03 -0.62 117.35 127.27 3gym s TYR 35 Ca -0.09 -0.76 -0.08 0.00 -2.44 0.00 0.00 57.07 53.69 3gym s TYR 35 Cb -0.15 -2.04 0.06 0.00 0.35 0.00 0.00 41.96 40.17 3gym s TYR 35 CO 0.06 -0.40 0.82 0.39 -1.34 0.00 0.00 175.55 175.08 3gym n GLU 36 N 4.37 -4.92 -0.96 4.97 1.02 -0.29 -1.69 120.64 123.14 3gym n GLU 36 Ca -0.18 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3gym n GLU 36 Cb 0.51 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 3gym n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gym n GLY 38 N -1.67 0.31 3.46 0.62 0.00 -1.26 -4.99 105.19 101.66 3gym n GLY 38 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3gym n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gym s VAL 39 N -1.72 3.59 0.08 1.61 1.01 -0.68 -5.01 120.40 119.28 3gym s VAL 39 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 3gym s VAL 39 Cb 0.00 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 3gym s VAL 39 CO 0.00 0.51 1.66 -2.28 0.00 0.00 0.00 175.10 175.00 3gym s HIS 40 N 0.27 2.43 0.00 5.22 5.65 -1.26 -0.85 115.29 126.75 3gym s HIS 40 Ca -0.05 0.30 0.00 0.00 0.25 0.00 0.00 55.06 55.56 3gym s HIS 40 Cb -0.15 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.27 3gym s HIS 40 CO 0.04 -3.93 0.00 1.33 -0.65 0.00 0.00 174.74 171.52 3gym n VAL 41 N 4.69 0.00 -4.02 0.89 0.24 0.92 -4.93 118.33 116.12 3gym n VAL 41 Ca 0.16 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.38 3gym n VAL 41 Cb 0.40 -0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 31.84 3gym n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gym s GLY 43 N -2.35 1.76 0.28 0.00 0.00 0.17 -0.17 107.32 107.02 3gym s GLY 43 Ca -0.02 -1.63 -0.21 0.00 0.00 0.00 0.00 44.72 42.87 3gym s GLY 43 CO -0.06 -1.08 0.72 -0.32 0.00 0.00 0.00 173.10 172.35 3gym s GLY 44 N -4.70 -0.06 -0.05 0.20 0.00 -0.54 -4.06 107.32 98.10 3gym s GLY 44 Ca 0.66 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.05 3gym s GLY 44 CO 0.44 -0.11 -0.07 -1.35 0.00 0.00 0.00 173.10 172.01 3gym s SER 45 N -2.93 1.25 0.06 1.64 1.04 -0.01 -1.14 113.70 113.61 3gym s SER 45 Ca 0.11 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.08 3gym s SER 45 Cb -0.06 -0.58 -0.05 0.00 0.10 0.00 0.00 66.02 65.43 3gym s SER 45 CO 0.07 -0.03 0.86 -0.22 0.98 0.00 0.00 173.24 174.91 3gym s LEU 46 N 0.85 4.45 0.00 2.42 2.96 0.20 0.46 118.68 130.02 3gym s LEU 46 Ca -0.12 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3gym s LEU 46 Cb -0.15 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.14 3gym s LEU 46 CO 0.01 -0.06 0.00 1.33 -1.32 0.00 0.00 176.35 176.32 3gym n VAL 47 N 2.98 0.00 -3.63 1.68 0.24 -0.69 -1.83 118.33 117.08 3gym n VAL 47 Ca 0.00 -0.15 -0.07 0.00 -2.04 0.00 0.00 64.34 62.09 3gym n VAL 47 Cb 0.50 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3gym n VAL 47 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gym n SER 48 N -1.25 -1.22 0.30 -1.34 3.41 -1.21 -4.75 113.62 107.56 3gym n SER 48 Ca 0.00 -2.06 0.14 0.00 -0.26 0.00 0.00 58.87 56.69 3gym n SER 48 Cb 0.00 2.09 0.77 0.00 -0.26 0.00 0.00 64.21 66.81 3gym n SER 48 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gym h GLU 49 N 0.00 0.00 0.00 4.33 3.07 -1.99 -3.18 114.58 116.81 3gym h GLU 49 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 3gym h GLU 49 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3gym h GLU 49 CO 0.25 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 178.80 3gym n GLN 50 N -2.73 0.00 -4.27 2.33 7.27 -1.26 -0.30 117.38 118.42 3gym n GLN 50 Ca -0.02 -0.22 -0.23 0.00 0.07 0.00 0.00 57.00 56.60 3gym n GLN 50 Cb 0.31 -0.35 -0.12 0.00 2.41 0.00 0.00 30.24 32.49 3gym n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3gym s TRP 51 N 0.00 1.71 -0.03 3.69 0.52 -1.20 -0.51 118.94 123.12 3gym s TRP 51 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 55.70 3gym s TRP 51 Cb 0.00 -0.94 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 3gym s TRP 51 CO 0.00 0.19 0.00 0.08 0.02 0.00 0.00 176.95 177.24 3gym s VAL 52 N -1.20 0.16 0.03 4.03 1.01 0.05 -1.70 120.40 122.78 3gym s VAL 52 Ca 0.05 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 3gym s VAL 52 Cb -0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 3gym s VAL 52 CO 0.04 0.13 0.63 -0.76 0.00 0.00 0.00 175.10 175.13 3gym s LEU 53 N 0.91 4.46 0.00 3.92 1.43 0.17 -0.15 118.68 129.42 3gym s LEU 53 Ca -0.09 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3gym s LEU 53 Cb -0.12 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3gym s LEU 53 CO -0.02 0.14 0.00 -0.24 0.23 0.00 0.00 176.35 176.46 3gym n SER 54 N 2.42 0.00 -4.36 2.29 2.88 -0.37 -0.83 113.62 115.64 3gym n SER 54 Ca -0.07 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 3gym n SER 54 Cb 0.51 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.82 3gym n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gym s ALA 55 N -1.55 2.33 0.31 -1.46 0.00 -1.26 -2.07 121.76 118.05 3gym s ALA 55 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3gym s ALA 55 Cb 0.00 -0.70 0.53 0.00 0.00 0.00 0.00 23.12 22.95 3gym s ALA 55 CO 0.00 0.53 1.94 0.00 0.00 0.00 0.00 175.76 178.23 3gym h ALA 56 N 5.49 1.50 0.00 0.00 0.00 -1.75 -2.08 119.26 122.42 3gym h ALA 56 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gym h ALA 56 Cb 1.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3gym h ALA 56 CO 0.48 0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 3gym n HIS 57 N -4.46 0.06 1.80 0.00 1.44 -1.26 -1.84 115.22 110.97 3gym n HIS 57 Ca 0.12 0.02 0.14 0.00 -2.01 0.00 0.00 57.72 55.99 3gym n HIS 57 Cb 0.14 -0.54 0.85 0.00 0.12 0.00 0.00 29.99 30.56 3gym n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gym n PHE 58 N -1.00 0.05 -1.74 0.00 3.72 -0.77 -4.95 117.46 112.77 3gym n PHE 58 Ca 0.22 -3.68 -0.38 0.00 -0.05 0.00 0.00 57.45 53.56 3gym n PHE 58 Cb 0.10 -0.38 0.06 0.00 -0.94 0.00 0.00 39.48 38.31 3gym n PHE 58 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3gym s PRO 58 N -1.71 2.74 0.62 -1.08 0.04 -1.26 -4.88 135.00 129.47 3gym s PRO 58 Ca 0.37 2.15 0.37 0.00 0.04 0.00 0.00 61.00 63.93 3gym s PRO 58 Cb 0.23 -1.99 2.07 0.00 0.04 0.00 0.00 34.50 34.85 3gym s PRO 58 CO -0.10 -1.47 2.28 0.66 0.04 0.00 0.00 177.00 178.41 3gym h SER 58 N 0.86 0.00 0.00 6.66 4.64 -1.98 -3.45 113.55 120.27 3gym h SER 58 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3gym h SER 58 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3gym h SER 58 CO 0.54 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.90 3gym n GLU 58 N -3.41 0.42 -3.71 4.77 4.71 -1.26 -5.04 120.64 117.12 3gym n GLU 58 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 56.98 3gym n GLU 58 Cb 0.10 -1.29 -0.14 0.00 -1.01 0.00 0.00 31.44 29.10 3gym n GLU 58 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3gym s HIS 58 N 1.03 -0.25 0.31 -0.32 3.76 -1.26 -5.22 115.29 113.33 3gym s HIS 58 Ca 0.00 0.67 0.08 0.00 -0.15 0.00 0.00 55.06 55.66 3gym s HIS 58 Cb 0.00 -0.08 0.82 0.00 1.11 0.00 0.00 32.58 34.43 3gym s HIS 58 CO 0.00 -0.24 1.75 -0.22 -0.85 0.00 0.00 174.74 175.18 3gym h LYS 58 N 7.67 0.64 0.00 1.40 3.64 -1.96 0.12 116.57 128.08 3gym h LYS 58 Ca -0.31 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3gym h LYS 58 Cb 1.13 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3gym h LYS 58 CO 0.30 0.43 -0.00 1.05 -2.27 0.00 0.00 179.45 178.95 3gym h GLU 58 N 0.66 0.00 -0.55 1.90 9.09 -2.01 -1.44 114.58 122.23 3gym h GLU 58 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 3gym h GLU 58 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3gym h GLU 58 CO -0.43 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.63 3gym n ALA 63 N -2.12 2.40 -2.68 1.06 0.00 0.41 -4.85 120.51 114.73 3gym n ALA 63 Ca -0.03 -1.14 -0.38 0.00 0.00 0.00 0.00 53.44 51.90 3gym n ALA 63 Cb 0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 3gym n ALA 63 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gym s TYR 64 N -1.27 3.40 0.37 0.00 2.02 -0.54 -1.14 117.35 120.19 3gym s TYR 64 Ca 0.44 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.85 3gym s TYR 64 Cb 0.24 -2.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.23 3gym s TYR 64 CO 0.33 0.04 -0.01 -1.21 -1.57 0.00 0.00 175.55 173.13 3gym s GLU 65 N 1.13 1.84 -0.02 -0.62 2.02 0.21 -3.92 118.70 119.34 3gym s GLU 65 Ca 0.19 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 53.17 3gym s GLU 65 Cb -0.15 -1.48 0.03 0.00 0.10 0.00 0.00 34.13 32.63 3gym s GLU 65 CO 0.08 -0.02 0.02 0.08 0.02 0.00 0.00 175.26 175.44 3gym s VAL 66 N -2.81 0.00 -0.14 2.63 1.01 -0.39 -1.74 120.40 118.96 3gym s VAL 66 Ca 0.34 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3gym s VAL 66 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.31 3gym s VAL 66 CO 0.17 0.10 -0.07 -0.75 0.00 0.00 0.00 175.10 174.55 3gym s LYS 67 N 1.00 3.55 0.11 2.72 2.20 -0.25 -1.59 119.74 127.48 3gym s LYS 67 Ca -0.09 -0.57 0.08 0.00 -0.36 0.00 0.00 55.97 55.04 3gym s LYS 67 Cb -0.12 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 3gym s LYS 67 CO -0.03 0.25 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.51 3gym s LEU 68 N 0.30 2.32 -0.80 5.43 1.02 -0.17 -1.01 118.68 125.77 3gym s LEU 68 Ca -0.06 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.38 3gym s LEU 68 Cb -0.15 -0.86 0.00 0.00 0.02 0.00 0.00 46.19 45.21 3gym s LEU 68 CO 0.04 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.05 3gym n GLY 69 N 0.96 0.87 3.48 -3.19 0.00 -1.25 -2.18 105.19 103.88 3gym n GLY 69 Ca -0.19 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 3gym n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gym s ALA 70 N -2.30 3.39 -0.17 4.61 0.00 -1.26 -4.53 121.76 121.51 3gym s ALA 70 Ca 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 3gym s ALA 70 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 3gym s ALA 70 CO 0.00 -1.80 -0.04 1.58 0.00 0.00 0.00 175.76 175.50 3gym n HIS 71 N 5.98 0.94 -3.50 0.00 -0.00 -1.26 -4.77 115.22 112.61 3gym n HIS 71 Ca -0.06 0.41 -0.42 0.00 0.46 0.00 0.00 57.72 58.11 3gym n HIS 71 Cb 0.47 -0.90 -0.09 0.00 -0.12 0.00 0.00 29.99 29.35 3gym n HIS 71 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 3gym s GLN 72 N -2.30 2.84 0.51 1.57 -0.21 -1.26 -0.13 119.66 120.68 3gym s GLN 72 Ca -0.20 -1.28 0.27 0.00 0.02 0.00 0.00 55.36 54.17 3gym s GLN 72 Cb 0.04 -3.94 1.38 0.00 1.00 0.00 0.00 33.01 31.49 3gym s GLN 72 CO 0.36 -0.90 1.91 -0.07 -2.12 0.00 0.00 175.29 174.47 3gym h LEU 73 N 8.58 0.09 -3.89 2.90 3.38 -0.62 -2.41 115.31 123.33 3gym h LEU 73 Ca -0.26 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.14 3gym h LEU 73 Cb 1.10 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.55 3gym h LEU 73 CO 0.78 0.04 0.47 0.47 0.09 0.00 0.00 178.44 180.29 3gym n ASP 74 N -4.35 5.91 -3.85 -0.43 8.00 -0.90 -4.94 116.55 115.99 3gym n ASP 74 Ca 0.16 -3.75 -0.12 0.00 0.71 0.00 0.00 54.79 51.80 3gym n ASP 74 Cb 0.82 -0.82 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 3gym n ASP 74 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gym s SER 75 N -2.07 -0.07 -0.46 -2.24 0.01 -0.91 -4.91 113.70 103.05 3gym s SER 75 Ca 0.59 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.70 3gym s SER 75 Cb 0.48 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 3gym s SER 75 CO 0.02 -0.05 1.84 -0.47 0.41 0.00 0.00 173.24 174.99 3gym s TYR 76 N -0.06 1.73 -0.05 2.43 5.04 -1.26 -4.88 117.35 120.30 3gym s TYR 76 Ca -0.01 0.75 -0.17 0.00 -2.44 0.00 0.00 57.07 55.19 3gym s TYR 76 Cb -0.01 -4.09 -0.05 0.00 0.35 0.00 0.00 41.96 38.16 3gym s TYR 76 CO 0.00 -2.61 0.46 0.45 -1.34 0.00 0.00 175.55 172.51 3gym s SER 77 N 7.16 6.77 0.00 4.32 0.15 -1.26 -5.02 113.70 125.83 3gym s SER 77 Ca 0.74 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.31 3gym s SER 77 Cb -0.17 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 3gym s SER 77 CO 0.28 0.16 0.67 1.21 1.20 0.00 0.00 173.24 176.75 3gym n GLU 78 N 2.75 0.00 -2.78 5.44 2.13 -1.26 -3.64 120.64 123.28 3gym n GLU 78 Ca -0.10 0.37 -0.43 0.00 0.66 0.00 0.00 57.16 57.66 3gym n GLU 78 Cb 0.52 -1.17 -0.00 0.00 0.27 0.00 0.00 31.44 31.06 3gym n GLU 78 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 3gym s ASP 79 N -2.42 6.90 -0.40 4.31 3.84 -1.26 -4.82 116.67 122.82 3gym s ASP 79 Ca 0.00 -2.59 0.03 0.00 -0.00 0.00 0.00 52.55 49.99 3gym s ASP 79 Cb 0.00 -2.48 0.16 0.00 -1.38 0.00 0.00 42.92 39.22 3gym s ASP 79 CO 0.00 -0.99 0.32 0.00 -0.00 0.00 0.00 175.17 174.50 3gym s ALA 80 N 2.91 0.98 0.60 2.11 0.00 -1.24 -4.64 121.76 122.47 3gym s ALA 80 Ca 0.46 -2.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.13 3gym s ALA 80 Cb -0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3gym s ALA 80 CO 0.01 -2.03 1.31 0.15 0.00 0.00 0.00 175.76 175.20 3gym s LYS 81 N 0.47 2.86 -0.02 0.00 1.02 -0.93 -4.66 119.74 118.49 3gym s LYS 81 Ca 0.28 2.12 0.06 0.00 0.02 0.00 0.00 55.97 58.45 3gym s LYS 81 Cb -0.05 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3gym s LYS 81 CO -0.12 -1.37 -0.21 0.08 -0.92 0.00 0.00 175.35 172.81 3gym s VAL 82 N -1.37 1.65 0.03 3.17 1.01 -1.26 -1.00 120.40 122.63 3gym s VAL 82 Ca 0.77 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3gym s VAL 82 Cb -0.38 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3gym s VAL 82 CO 0.43 0.47 -0.05 -0.55 0.00 0.00 0.00 175.10 175.39 3gym s SER 83 N -0.44 0.52 0.82 3.32 0.15 -0.62 -4.98 113.70 112.47 3gym s SER 83 Ca 0.07 -0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.12 3gym s SER 83 Cb -0.09 0.07 0.15 0.00 -1.71 0.00 0.00 66.02 64.44 3gym s SER 83 CO -0.00 -0.25 1.14 0.42 1.20 0.00 0.00 173.24 175.75 3gym s THR 84 N -1.39 2.10 -0.16 6.45 -4.23 -1.26 -1.27 115.64 115.88 3gym s THR 84 Ca -0.13 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3gym s THR 84 Cb -0.10 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 3gym s THR 84 CO -0.00 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.24 3gym s LEU 85 N -5.50 2.98 0.06 4.79 1.43 -1.25 -2.02 118.68 119.17 3gym s LEU 85 Ca 0.68 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 3gym s LEU 85 Cb -0.06 -1.71 -0.28 0.00 0.03 0.00 0.00 46.19 44.18 3gym s LEU 85 CO 0.48 0.14 1.11 0.50 0.23 0.00 0.00 176.35 178.81 3gym h LYS 86 N 6.92 0.54 -3.52 1.70 3.64 -0.14 -3.44 116.57 122.27 3gym h LYS 86 Ca -0.30 -0.76 -0.12 0.00 -1.27 0.00 0.00 60.65 58.20 3gym h LYS 86 Cb 1.20 0.26 -0.18 0.00 -0.41 0.00 0.00 32.23 33.09 3gym h LYS 86 CO 0.59 1.34 -0.41 -0.51 -2.27 0.00 0.00 179.45 178.20 3gym s ASP 87 N -7.38 0.02 -0.15 4.20 1.11 -0.89 -4.99 116.67 108.58 3gym s ASP 87 Ca -0.08 -0.31 -0.04 0.00 0.18 0.00 0.00 52.55 52.29 3gym s ASP 87 Cb 0.06 0.27 0.05 0.00 1.07 0.00 0.00 42.92 44.38 3gym s ASP 87 CO 0.92 -0.52 0.08 -0.63 1.18 0.00 0.00 175.17 176.20 3gym s ILE 88 N -2.28 -0.02 -0.42 0.77 1.01 -1.26 -1.43 121.20 117.56 3gym s ILE 88 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3gym s ILE 88 Cb -0.02 -0.55 0.12 0.00 0.01 0.00 0.00 42.46 42.02 3gym s ILE 88 CO -0.02 -0.18 0.18 -0.63 0.00 0.00 0.00 174.94 174.28 3gym s ILE 89 N 2.11 2.77 0.58 2.92 1.01 -0.37 -4.98 121.20 125.25 3gym s ILE 89 Ca 0.02 -2.52 -0.18 0.00 0.00 0.00 0.00 60.65 57.97 3gym s ILE 89 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3gym s ILE 89 CO -0.08 -0.69 1.14 -2.84 0.00 0.00 0.00 174.94 172.47 3gym s PRO 90 N 0.63 3.14 0.30 2.79 0.02 -1.26 -1.24 135.00 139.37 3gym s PRO 90 Ca 0.12 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 3gym s PRO 90 Cb -0.21 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.21 3gym s PRO 90 CO -0.05 -1.02 1.60 1.58 -0.33 0.00 0.00 177.00 178.78 3gym n HIS 91 N -1.63 2.89 -0.46 6.54 -0.00 0.20 -4.85 115.22 117.91 3gym n HIS 91 Ca 0.12 0.25 0.38 0.00 0.46 0.00 0.00 57.72 58.93 3gym n HIS 91 Cb 0.51 -2.60 0.67 0.00 -0.12 0.00 0.00 29.99 28.45 3gym n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3gym h PRO 92 N 4.75 0.09 0.00 1.57 0.11 -1.91 0.11 132.00 136.73 3gym h PRO 92 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gym h PRO 92 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gym h PRO 92 CO 0.79 0.06 0.00 0.45 -0.21 0.00 0.00 178.00 179.09 3gym n SER 93 N -4.50 0.00 -0.07 -2.05 2.88 -1.26 -4.33 113.62 104.29 3gym n SER 93 Ca 0.36 0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.84 3gym n SER 93 Cb 1.44 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 64.57 3gym n SER 93 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3gym h TYR 94 N 0.00 0.00 0.00 0.66 3.20 -1.14 -3.36 116.97 116.33 3gym h TYR 94 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3gym h TYR 94 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3gym h TYR 94 CO 0.00 0.48 0.01 1.28 -1.64 0.00 0.00 178.16 178.29 3gym n LEU 95 N -4.63 0.00 -0.73 2.82 7.99 -1.26 -0.63 117.00 120.56 3gym n LEU 95 Ca -0.10 0.25 0.06 0.00 -0.01 0.00 0.00 56.01 56.20 3gym n LEU 95 Cb 0.31 -0.25 0.18 0.00 -0.11 0.00 0.00 43.42 43.55 3gym n LEU 95 CO 0.13 -0.25 0.32 0.00 -1.51 0.00 0.00 177.39 176.08 3gym n GLN 96 N -1.24 1.35 0.00 3.23 0.00 -1.26 -4.90 117.38 114.56 3gym n GLN 96 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 57.00 53.89 3gym n GLN 96 Cb 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 28.87 3gym n GLN 96 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3gym n GLU 97 N -0.88 0.00 -2.33 2.61 4.07 0.20 -4.96 120.64 119.34 3gym n GLU 97 Ca 0.17 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.07 3gym n GLU 97 Cb 0.76 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.12 3gym n GLU 97 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gym n GLY 98 N 1.86 -0.28 0.00 8.31 0.00 -1.22 -4.74 105.19 109.12 3gym n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gym n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gym n SER 99 N -1.92 0.00 -3.61 1.61 2.88 -1.26 -5.14 113.62 106.18 3gym n SER 99 Ca -0.23 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.26 3gym n SER 99 Cb 0.67 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.10 3gym n SER 99 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3gym s GLN 100 N 0.00 0.28 0.00 -1.46 0.74 -1.26 -4.88 119.66 113.08 3gym s GLN 100 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.43 3gym s GLN 100 Cb 0.00 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.24 3gym s GLN 100 CO 0.00 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 3gym n GLY 101 N 0.42 0.92 2.68 2.59 0.00 -1.26 -4.26 105.19 106.28 3gym n GLY 101 Ca -0.03 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3gym n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gym n ASP 102 N 1.21 5.96 -3.67 1.61 -0.08 -1.26 -4.33 116.55 115.99 3gym n ASP 102 Ca 0.00 -3.01 -0.15 0.00 -1.51 0.00 0.00 54.79 50.13 3gym n ASP 102 Cb 0.35 -1.49 -0.08 0.00 2.34 0.00 0.00 41.12 42.24 3gym n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3gym s ILE 103 N 0.76 0.03 0.03 5.18 2.07 -1.26 -3.78 121.20 124.22 3gym s ILE 103 Ca 0.48 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 59.49 3gym s ILE 103 Cb 0.13 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 3gym s ILE 103 CO -0.04 -0.12 -0.03 0.00 -1.91 0.00 0.00 174.94 172.83 3gym s ALA 104 N -0.96 0.22 -0.14 1.50 0.00 -0.88 -0.63 121.76 120.88 3gym s ALA 104 Ca -0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 3gym s ALA 104 Cb -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3gym s ALA 104 CO 0.05 -0.19 0.03 -0.51 0.00 0.00 0.00 175.76 175.14 3gym s LEU 105 N -1.74 3.66 -0.25 0.00 1.43 -0.38 -1.24 118.68 120.17 3gym s LEU 105 Ca -0.11 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3gym s LEU 105 Cb -0.07 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3gym s LEU 105 CO -0.03 0.26 -0.04 -0.76 0.23 0.00 0.00 176.35 176.01 3gym s LEU 106 N -0.15 3.17 -0.26 1.79 1.43 0.78 -1.24 118.68 124.20 3gym s LEU 106 Ca 0.06 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 3gym s LEU 106 Cb -0.12 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3gym s LEU 106 CO 0.02 -0.11 0.61 -1.58 0.23 0.00 0.00 176.35 175.52 3gym s GLN 107 N 1.38 4.08 0.67 1.70 0.74 -0.52 -0.77 119.66 126.94 3gym s GLN 107 Ca 0.02 0.48 -0.16 0.00 0.05 0.00 0.00 55.36 55.75 3gym s GLN 107 Cb -0.16 -3.66 0.01 0.00 1.10 0.00 0.00 33.01 30.30 3gym s GLN 107 CO -0.04 -0.42 1.17 -0.51 -0.55 0.00 0.00 175.29 174.95 3gym s LEU 108 N 2.48 3.43 0.23 3.68 1.43 0.34 0.47 118.68 130.74 3gym s LEU 108 Ca 0.25 2.23 -0.05 0.00 -1.03 0.00 0.00 54.13 55.53 3gym s LEU 108 Cb -0.15 -4.58 0.22 0.00 0.03 0.00 0.00 46.19 41.71 3gym s LEU 108 CO 0.09 -1.85 1.70 0.28 0.23 0.00 0.00 176.35 176.79 3gym h SER 109 N 0.14 0.87 -4.32 2.29 0.02 -1.70 -3.36 113.55 107.48 3gym h SER 109 Ca -0.48 -0.24 -0.31 0.00 -0.84 0.00 0.00 61.79 59.93 3gym h SER 109 Cb 1.28 -0.23 -0.25 0.00 0.14 0.00 0.00 62.40 63.33 3gym h SER 109 CO 0.53 0.95 -0.75 -0.13 -1.14 0.00 0.00 176.83 176.29 3gym s ARG 110 N -4.94 0.49 0.47 3.45 0.52 -1.26 -4.88 118.95 112.80 3gym s ARG 110 Ca -0.10 -0.47 -0.24 0.00 -0.52 0.00 0.00 55.73 54.39 3gym s ARG 110 Cb 0.14 -0.38 -0.08 0.00 0.52 0.00 0.00 34.95 35.16 3gym s ARG 110 CO 0.83 0.09 1.36 -2.30 0.02 0.00 0.00 175.30 175.30 3gym n PRO 111 N 2.23 2.00 -3.84 3.54 -0.02 -1.26 -4.89 135.00 132.76 3gym n PRO 111 Ca -0.18 0.72 -0.21 0.00 -2.02 0.00 0.00 63.50 61.81 3gym n PRO 111 Cb 0.56 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 3gym n PRO 111 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3gym s ILE 112 N -1.23 3.33 -0.16 4.25 -5.25 0.59 -4.99 121.20 117.75 3gym s ILE 112 Ca 0.64 -1.43 -0.15 0.00 -0.99 0.00 0.00 60.65 58.72 3gym s ILE 112 Cb -0.45 -3.13 -0.04 0.00 2.95 0.00 0.00 42.46 41.79 3gym s ILE 112 CO 0.55 -0.15 0.34 -0.89 -1.79 0.00 0.00 174.94 173.00 3gym s THR 113 N -2.35 5.27 0.35 8.37 2.01 -1.26 -4.85 115.64 123.18 3gym s THR 113 Ca 0.41 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 3gym s THR 113 Cb -0.05 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 3gym s THR 113 CO 0.26 0.36 1.17 -0.36 -0.69 0.00 0.00 174.62 175.36 3gym s PHE 114 N 0.62 3.23 0.13 4.92 0.08 -1.26 -4.93 117.98 120.77 3gym s PHE 114 Ca 0.18 1.57 0.03 0.00 0.12 0.00 0.00 56.93 58.84 3gym s PHE 114 Cb -0.14 -3.41 -0.01 0.00 -0.57 0.00 0.00 43.02 38.89 3gym s PHE 114 CO 0.06 -1.17 0.10 -1.13 -0.10 0.00 0.00 175.22 172.98 3gym n SER 115 N 0.58 -0.13 0.29 1.36 3.41 -0.72 -4.97 113.62 113.45 3gym n SER 115 Ca 0.02 -1.83 0.15 0.00 -0.26 0.00 0.00 58.87 56.95 3gym n SER 115 Cb 0.45 0.61 0.86 0.00 -0.26 0.00 0.00 64.21 65.87 3gym n SER 115 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gym h ARG 116 N 0.00 0.00 -0.00 4.33 3.08 -1.99 -2.77 114.38 117.02 3gym h ARG 116 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3gym h ARG 116 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3gym h ARG 116 CO 0.14 0.06 -0.68 0.66 -1.07 0.00 0.00 179.97 179.07 3gym n TYR 117 N -3.60 0.00 -3.84 3.04 4.01 -1.26 -4.81 117.16 110.70 3gym n TYR 117 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 3gym n TYR 117 Cb 0.16 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.03 3gym n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gym s ILE 118 N -2.44 0.90 -0.28 -0.72 1.01 -1.05 -3.83 121.20 114.79 3gym s ILE 118 Ca 0.08 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 3gym s ILE 118 Cb 0.13 -1.14 0.08 0.00 0.01 0.00 0.00 42.46 41.54 3gym s ILE 118 CO 0.63 0.07 0.74 -0.13 0.00 0.00 0.00 174.94 176.25 3gym s ARG 119 N 1.72 0.75 0.62 2.79 0.52 -0.63 -1.75 118.95 122.97 3gym s ARG 119 Ca 0.01 1.04 -0.13 0.00 -0.52 0.00 0.00 55.73 56.13 3gym s ARG 119 Cb -0.15 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 3gym s ARG 119 CO -0.07 -0.11 1.04 -1.25 0.02 0.00 0.00 175.30 174.92 3gym s PRO 120 N 0.87 3.34 0.24 3.54 0.04 -1.26 -1.70 135.00 140.07 3gym s PRO 120 Ca -0.04 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 3gym s PRO 120 Cb -0.05 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3gym s PRO 120 CO -0.08 -0.78 0.44 -1.50 0.04 0.00 0.00 177.00 175.13 3gym s ILE 121 N -2.84 5.16 0.16 0.56 2.07 -0.76 -4.86 121.20 120.69 3gym s ILE 121 Ca 0.59 -0.32 -0.26 0.00 -1.41 0.00 0.00 60.65 59.25 3gym s ILE 121 Cb -0.13 -3.76 -0.08 0.00 0.13 0.00 0.00 42.46 38.62 3gym s ILE 121 CO 0.46 -0.26 0.80 -0.44 -1.91 0.00 0.00 174.94 173.58 3gym s SER 122 N -3.32 7.41 0.26 4.50 0.01 -1.24 -4.67 113.70 116.65 3gym s SER 122 Ca 0.40 1.66 -0.19 0.00 1.31 0.00 0.00 55.95 59.13 3gym s SER 122 Cb -0.11 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 3gym s SER 122 CO 0.30 0.18 0.75 -0.76 0.41 0.00 0.00 173.24 174.13 3gym s LEU 123 N -1.03 4.27 0.27 2.44 1.43 -1.26 -1.35 118.68 123.45 3gym s LEU 123 Ca 0.37 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 3gym s LEU 123 Cb -0.23 -3.75 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 3gym s LEU 123 CO 0.27 -0.04 1.02 -2.84 0.23 0.00 0.00 176.35 174.99 3gym s PRO 124 N -2.22 4.71 0.97 1.29 0.02 -1.26 -4.90 135.00 133.61 3gym s PRO 124 Ca 0.46 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 3gym s PRO 124 Cb -0.15 -3.19 0.17 0.00 0.02 0.00 0.00 34.50 31.35 3gym s PRO 124 CO 0.20 0.33 1.11 0.00 -0.33 0.00 0.00 177.00 178.31 3gym s ALA 125 N -1.21 1.02 0.46 -1.55 0.00 -1.26 -4.49 121.76 114.74 3gym s ALA 125 Ca 0.44 0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.84 3gym s ALA 125 Cb -0.29 -3.36 1.06 0.00 0.00 0.00 0.00 23.12 20.53 3gym s ALA 125 CO 0.36 -2.94 2.06 0.00 0.00 0.00 0.00 175.76 175.24 3gym h ALA 126 N -1.99 1.93 -1.02 0.00 0.00 -1.94 -2.69 119.26 113.55 3gym h ALA 126 Ca -0.49 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 53.67 3gym h ALA 126 Cb 1.28 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.71 3gym h ALA 126 CO 0.46 0.01 0.91 1.04 0.00 0.00 0.00 179.25 181.67 3gym n GLN 127 N -4.48 2.78 -4.87 0.00 1.13 -1.26 -4.71 117.38 105.97 3gym n GLN 127 Ca 0.04 -3.53 -0.33 0.00 -1.94 0.00 0.00 57.00 51.24 3gym n GLN 127 Cb 0.19 -2.27 -0.15 0.00 0.11 0.00 0.00 30.24 28.12 3gym n GLN 127 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gym s ALA 128 N -3.99 2.47 -0.05 -1.58 0.00 -1.02 -5.11 121.76 112.48 3gym s ALA 128 Ca 0.55 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.62 3gym s ALA 128 Cb 0.45 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 3gym s ALA 128 CO -0.31 0.22 -0.19 0.45 0.00 0.00 0.00 175.76 175.93 3gym s SER 129 N 0.41 2.44 -0.17 0.00 0.15 -1.26 -4.94 113.70 110.33 3gym s SER 129 Ca -0.13 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.07 3gym s SER 129 Cb -0.16 -0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 63.41 3gym s SER 129 CO 0.06 0.18 -0.01 -0.36 1.20 0.00 0.00 173.24 174.31 3gym s PHE 130 N 0.01 3.08 0.62 3.44 0.08 -1.26 -5.09 117.98 118.86 3gym s PHE 130 Ca -0.05 -0.25 -0.18 0.00 0.12 0.00 0.00 56.93 56.57 3gym s PHE 130 Cb -0.12 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 3gym s PHE 130 CO 0.03 -0.04 1.07 -0.35 -0.10 0.00 0.00 175.22 175.83 3gym n PRO 131 N 3.69 0.95 -2.03 0.24 -0.04 -1.26 -4.95 135.00 131.60 3gym n PRO 131 Ca -0.17 0.37 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 3gym n PRO 131 Cb 0.52 -2.29 0.03 0.00 -0.04 0.00 0.00 33.50 31.71 3gym n PRO 131 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3gym s ASN 132 N -1.31 5.35 0.00 3.54 0.01 -1.26 -2.87 114.94 118.40 3gym s ASN 132 Ca 0.79 2.20 0.00 0.00 -0.71 0.00 0.00 52.86 55.14 3gym s ASN 132 Cb -0.40 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.68 3gym s ASN 132 CO 0.44 -1.47 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 3gym n GLY 133 N 0.12 1.89 3.70 0.66 0.00 0.99 -4.91 105.19 107.63 3gym n GLY 133 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3gym n GLY 133 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gym n LEU 134 N 0.00 3.57 -4.66 0.99 7.94 -1.14 -4.51 117.00 119.19 3gym n LEU 134 Ca 0.00 1.10 -0.41 0.00 -1.11 0.00 0.00 56.01 55.59 3gym n LEU 134 Cb 0.00 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.40 3gym n LEU 134 CO 0.00 -0.11 0.45 -1.00 -1.11 0.00 0.00 177.39 175.63 3gym s HIS 135 N 0.69 3.38 0.33 1.96 3.76 -1.26 -0.93 115.29 123.22 3gym s HIS 135 Ca 0.74 1.02 0.06 0.00 -0.15 0.00 0.00 55.06 56.72 3gym s HIS 135 Cb -0.59 -2.87 -0.07 0.00 1.11 0.00 0.00 32.58 30.16 3gym s HIS 135 CO 0.40 -0.22 0.01 0.00 -0.85 0.00 0.00 174.74 174.08 3gym s THR 137 N -3.04 2.55 0.05 0.00 2.01 -0.14 0.11 115.64 117.17 3gym s THR 137 Ca 0.34 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.52 3gym s THR 137 Cb 0.07 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3gym s THR 137 CO 0.15 0.53 0.14 0.54 -0.69 0.00 0.00 174.62 175.29 3gym s VAL 138 N 0.56 4.99 -0.02 3.82 0.11 -0.51 -0.74 120.40 128.62 3gym s VAL 138 Ca -0.11 -0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 58.44 3gym s VAL 138 Cb -0.16 -3.39 0.03 0.00 -1.53 0.00 0.00 36.38 31.33 3gym s VAL 138 CO 0.04 0.19 0.03 0.42 -3.33 0.00 0.00 175.10 172.45 3gym s THR 139 N -1.40 -0.06 0.28 5.04 -4.23 -1.23 -2.08 115.64 111.97 3gym s THR 139 Ca 0.30 0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.83 3gym s THR 139 Cb -0.13 -0.08 0.06 0.00 1.34 0.00 0.00 72.50 73.69 3gym s THR 139 CO 0.23 0.09 0.88 -0.83 -0.54 0.00 0.00 174.62 174.44 3gym s GLY 140 N 1.05 0.15 -0.28 3.99 0.00 -0.52 -4.46 107.32 107.25 3gym s GLY 140 Ca -0.09 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.29 3gym s GLY 140 CO -0.03 0.59 1.53 0.79 0.00 0.00 0.00 173.10 175.98 3gym n TRP 141 N -0.56 1.37 -1.11 1.90 8.01 -1.26 -1.46 117.44 124.33 3gym n TRP 141 Ca -0.06 -1.41 -0.30 0.00 -1.31 0.00 0.00 57.50 54.41 3gym n TRP 141 Cb 0.60 -0.51 0.25 0.00 -2.01 0.00 0.00 31.31 29.64 3gym n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3gym s GLY 142 N -2.14 1.60 0.49 6.99 0.00 -1.26 -4.73 107.32 108.27 3gym s GLY 142 Ca 0.46 -1.09 -0.23 0.00 0.00 0.00 0.00 44.72 43.86 3gym s GLY 142 CO 0.04 -0.15 1.32 1.42 0.00 0.00 0.00 173.10 175.74 3gym n HIS 143 N -4.83 2.25 1.43 1.90 8.25 -0.45 -2.56 115.22 121.21 3gym n HIS 143 Ca 0.15 0.45 0.12 0.00 -0.26 0.00 0.00 57.72 58.18 3gym n HIS 143 Cb 0.60 -2.38 0.47 0.00 1.12 0.00 0.00 29.99 29.80 3gym n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3gym n VAL 144 N -0.63 0.12 -3.63 1.59 0.24 -0.38 -2.29 118.33 113.35 3gym n VAL 144 Ca 0.08 -0.26 -0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3gym n VAL 144 Cb 0.42 0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 33.06 3gym n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gym s ALA 144 N -1.88 -2.13 -0.35 2.33 0.00 -1.22 -4.33 121.76 114.19 3gym s ALA 144 Ca 0.34 0.72 -0.40 0.00 0.00 0.00 0.00 51.96 52.62 3gym s ALA 144 Cb 0.18 0.35 -0.16 0.00 0.00 0.00 0.00 23.12 23.49 3gym s ALA 144 CO 0.28 -0.99 1.88 -2.30 0.00 0.00 0.00 175.76 174.62 3gym n PRO 144 N -0.44 0.86 -4.08 0.00 -0.02 -1.26 -1.07 135.00 128.99 3gym n PRO 144 Ca -0.07 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 3gym n PRO 144 Cb 0.62 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 3gym n PRO 144 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gym n SER 144 N 6.46 -1.08 -3.80 2.55 3.41 -1.26 -4.95 113.62 114.95 3gym n SER 144 Ca 0.34 -1.14 -0.24 0.00 -0.26 0.00 0.00 58.87 57.57 3gym n SER 144 Cb 0.11 -1.39 -0.17 0.00 -0.26 0.00 0.00 64.21 62.49 3gym n SER 144 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gym s VAL 144 N -4.00 0.53 0.00 -3.33 1.01 -0.24 -5.09 120.40 109.28 3gym s VAL 144 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3gym s VAL 144 Cb -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3gym s VAL 144 CO 0.87 0.29 0.00 -0.24 0.00 0.00 0.00 175.10 176.01 3gym n SER 144 N 5.09 0.00 -4.04 3.32 2.88 -1.26 -1.24 113.62 118.35 3gym n SER 144 Ca -0.09 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.23 3gym n SER 144 Cb 0.50 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 3gym n SER 144 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gym s LEU 144 N 0.00 1.81 0.54 2.46 1.43 -1.26 -4.35 118.68 119.31 3gym s LEU 144 Ca 0.00 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3gym s LEU 144 Cb 0.00 -0.71 -0.07 0.00 0.03 0.00 0.00 46.19 45.44 3gym s LEU 144 CO 0.00 0.09 0.92 1.07 0.23 0.00 0.00 176.35 178.66 3gym n THR 144 N 3.30 3.08 0.27 5.49 5.66 -1.26 -1.22 114.28 129.60 3gym n THR 144 Ca -0.19 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.24 3gym n THR 144 Cb 0.54 -1.09 0.06 0.00 -1.55 0.00 0.00 70.33 68.28 3gym n THR 144 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3gym n PRO 144 N -0.49 1.39 -3.31 1.09 -0.04 -1.26 -4.95 135.00 127.43 3gym n PRO 144 Ca 0.12 -0.94 -0.08 0.00 -0.04 0.00 0.00 63.50 62.55 3gym n PRO 144 Cb 0.45 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3gym n PRO 144 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gym n LYS 153 N 0.01 -1.40 -2.27 0.54 5.02 -0.36 -2.11 118.16 117.60 3gym n LYS 153 Ca 0.19 1.24 -0.42 0.00 -2.02 0.00 0.00 58.31 57.30 3gym n LYS 153 Cb 0.86 -4.60 -0.03 0.00 -0.02 0.00 0.00 35.03 31.24 3gym n LYS 153 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3gym s PRO 154 N -3.67 4.39 0.12 1.97 0.02 -1.26 -0.63 135.00 135.94 3gym s PRO 154 Ca 0.01 1.98 -0.34 0.00 0.02 0.00 0.00 61.00 62.66 3gym s PRO 154 Cb -0.00 -3.25 -0.17 0.00 0.02 0.00 0.00 34.50 31.10 3gym s PRO 154 CO 0.80 -0.29 1.07 -0.11 -0.33 0.00 0.00 177.00 178.13 3gym n LEU 155 N 3.33 0.74 -4.68 -5.54 7.94 0.81 -4.82 117.00 114.78 3gym n LEU 155 Ca 0.08 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.81 3gym n LEU 155 Cb 0.44 -1.10 -0.09 0.00 0.53 0.00 0.00 43.42 43.20 3gym n LEU 155 CO 0.57 -1.68 -0.33 -1.10 -1.11 0.00 0.00 177.39 173.75 3gym s GLN 156 N -0.27 2.66 0.24 1.96 -1.52 -0.54 -0.87 119.66 121.32 3gym s GLN 156 Ca 0.78 -0.72 0.03 0.00 -1.95 0.00 0.00 55.36 53.50 3gym s GLN 156 Cb -0.98 -2.60 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 3gym s GLN 156 CO 0.53 0.58 0.01 1.14 -0.25 0.00 0.00 175.29 177.31 3gym s GLN 157 N -1.90 1.36 -0.29 2.91 -2.07 0.14 -1.44 119.66 118.36 3gym s GLN 157 Ca 0.22 -1.70 -0.15 0.00 -1.82 0.00 0.00 55.36 51.92 3gym s GLN 157 Cb -0.12 -0.57 0.14 0.00 -1.09 0.00 0.00 33.01 31.37 3gym s GLN 157 CO 0.14 -0.13 0.89 -1.17 -1.32 0.00 0.00 175.29 173.70 3gym s LEU 158 N -3.31 -0.69 -0.08 2.60 2.96 -0.88 -1.30 118.68 117.97 3gym s LEU 158 Ca 0.30 1.01 -0.27 0.00 -0.22 0.00 0.00 54.13 54.95 3gym s LEU 158 Cb 0.06 1.87 -0.02 0.00 0.50 0.00 0.00 46.19 48.60 3gym s LEU 158 CO 0.10 -0.15 0.89 -1.61 -1.32 0.00 0.00 176.35 174.25 3gym s GLU 159 N 2.06 4.43 -0.02 1.98 2.02 -1.26 -1.42 118.70 126.50 3gym s GLU 159 Ca -0.06 1.19 0.01 0.00 0.02 0.00 0.00 54.97 56.13 3gym s GLU 159 Cb -0.06 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.67 3gym s GLU 159 CO -0.17 -0.16 -0.04 0.14 0.02 0.00 0.00 175.26 175.05 3gym s VAL 160 N 1.51 0.42 0.29 2.63 -7.23 0.30 -4.91 120.40 113.40 3gym s VAL 160 Ca 0.44 -0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 3gym s VAL 160 Cb -0.18 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.24 3gym s VAL 160 CO 0.19 0.17 1.03 -2.84 -0.31 0.00 0.00 175.10 173.34 3gym s PRO 161 N 0.48 4.64 0.29 4.82 0.02 -1.26 -0.72 135.00 143.26 3gym s PRO 161 Ca -0.06 1.63 -0.29 0.00 0.02 0.00 0.00 61.00 62.30 3gym s PRO 161 Cb -0.09 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.24 3gym s PRO 161 CO -0.00 0.27 1.13 -0.51 -0.33 0.00 0.00 177.00 177.56 3gym s LEU 162 N -1.58 4.53 -0.10 -5.54 1.43 -0.10 -1.58 118.68 115.74 3gym s LEU 162 Ca 0.46 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.92 3gym s LEU 162 Cb -0.28 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.33 3gym s LEU 162 CO 0.35 -0.21 -0.17 -0.63 0.23 0.00 0.00 176.35 175.93 3gym s ILE 163 N -1.15 1.58 0.77 -0.59 1.01 0.22 -0.00 121.20 123.03 3gym s ILE 163 Ca 0.45 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 3gym s ILE 163 Cb -0.33 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3gym s ILE 163 CO 0.43 0.46 0.29 -1.54 0.00 0.00 0.00 174.94 174.57 3gym n SER 164 N 4.04 -2.16 0.22 3.58 3.41 -1.26 -2.92 113.62 118.53 3gym n SER 164 Ca -0.20 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 3gym n SER 164 Cb 0.52 -1.12 0.37 0.00 -0.26 0.00 0.00 64.21 63.71 3gym n SER 164 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3gym h ARG 165 N -0.61 0.00 -0.09 4.33 0.11 -1.94 -1.52 114.38 114.65 3gym h ARG 165 Ca -0.44 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.49 3gym h ARG 165 Cb 1.34 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.43 3gym h ARG 165 CO 0.39 0.00 -0.52 0.93 0.10 0.00 0.00 179.97 180.87 3gym h GLU 166 N 0.00 0.51 -0.14 0.08 3.07 -1.94 -2.17 114.58 114.00 3gym h GLU 166 Ca 0.00 -0.43 -0.16 0.00 -0.50 0.00 0.00 59.36 58.27 3gym h GLU 166 Cb 0.79 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 3gym h GLU 166 CO 0.00 1.06 -0.58 1.15 -1.40 0.00 0.00 179.01 179.24 3gym h THR 167 N 0.10 1.35 -0.15 1.13 2.02 -1.90 -2.32 112.91 113.14 3gym h THR 167 Ca -0.04 -1.88 -0.11 0.00 0.77 0.00 0.00 66.41 65.16 3gym h THR 167 Cb 1.17 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 3gym h THR 167 CO 0.11 0.57 -0.39 0.00 0.37 0.00 0.00 175.52 176.18 3gym h ASN 169 N 0.28 0.16 -0.20 0.00 -0.26 -1.24 -1.83 115.58 112.48 3gym h ASN 169 Ca 0.03 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.69 3gym h ASN 169 Cb 0.81 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.01 3gym h ASN 169 CO 0.06 0.72 0.10 0.28 -1.06 0.00 0.00 177.43 177.54 3gym h SER 170 N 0.10 0.15 -0.20 5.81 0.02 -0.81 -2.55 113.55 116.07 3gym h SER 170 Ca -0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3gym h SER 170 Cb 1.09 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3gym h SER 170 CO 0.09 0.11 0.13 -0.07 -1.14 0.00 0.00 176.83 175.95 3gym h LEU 171 N 0.21 0.21 -1.84 5.07 3.38 -1.07 -2.63 115.31 118.64 3gym h LEU 171 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3gym h LEU 171 Cb 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gym h LEU 171 CO -0.06 0.16 -0.14 1.88 0.09 0.00 0.00 178.44 180.37 3gym h TYR 172 N 0.26 0.00 0.00 1.13 0.05 -1.22 -0.99 116.97 116.20 3gym h TYR 172 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3gym h TYR 172 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 3gym h TYR 172 CO -0.07 0.14 0.00 -0.91 -1.05 0.00 0.00 178.16 176.27 3gym h ASN 172 N 0.00 0.00 -3.12 3.88 -0.26 -1.07 -3.35 115.58 111.66 3gym h ASN 172 Ca -0.00 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.17 3gym h ASN 172 Cb 0.29 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.50 3gym h ASN 172 CO 0.02 0.00 1.09 -0.63 -1.06 0.00 0.00 177.43 176.84 3gym s ILE 172 N -3.40 3.87 -1.26 2.81 1.01 -0.38 -2.46 121.20 121.40 3gym s ILE 172 Ca 0.04 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.60 3gym s ILE 172 Cb 0.09 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3gym s ILE 172 CO 0.43 -0.61 0.00 0.47 0.00 0.00 0.00 174.94 175.23 3gym n ASP 172 N 8.76 -4.33 -4.74 3.58 8.00 -1.26 -4.96 116.55 121.59 3gym n ASP 172 Ca 0.17 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 3gym n ASP 172 Cb 0.47 -3.28 -0.02 0.00 -0.02 0.00 0.00 41.12 38.27 3gym n ASP 172 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gym s ALA 172 N -2.58 3.76 -0.22 2.24 0.00 -1.03 -4.97 121.76 118.95 3gym s ALA 172 Ca 0.00 1.53 -0.20 0.00 0.00 0.00 0.00 51.96 53.28 3gym s ALA 172 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3gym s ALA 172 CO 0.00 -0.93 0.62 0.15 0.00 0.00 0.00 175.76 175.60 3gym s LYS 172 N -0.15 4.17 0.00 0.00 1.02 -1.26 -5.03 119.74 118.48 3gym s LYS 172 Ca 0.65 0.57 0.00 0.00 0.02 0.00 0.00 55.97 57.20 3gym s LYS 172 Cb -0.47 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 3gym s LYS 172 CO 0.44 -0.31 0.00 -2.30 -0.92 0.00 0.00 175.35 172.26 3gym n PRO 172 N 5.31 0.00 0.00 -1.68 -0.02 -1.26 -3.87 135.00 133.48 3gym n PRO 172 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3gym n PRO 172 Cb 0.49 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 3gym n PRO 172 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gym n GLU 172 N 0.65 0.00 -2.42 -0.52 1.02 -1.26 -5.05 120.64 113.07 3gym n GLU 172 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3gym n GLU 172 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3gym n GLU 172 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gym s PRO 172 N 0.00 4.47 -0.19 3.49 0.04 -1.25 -5.02 135.00 136.54 3gym s PRO 172 Ca 0.00 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.85 3gym s PRO 172 Cb 0.00 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.26 3gym s PRO 172 CO 0.00 -0.16 -0.18 -1.01 0.04 0.00 0.00 177.00 175.68 3gym s HIS 172 N 0.55 2.86 -0.02 0.56 3.76 -1.26 -5.12 115.29 116.61 3gym s HIS 172 Ca 0.56 -1.75 0.06 0.00 -0.15 0.00 0.00 55.06 53.78 3gym s HIS 172 Cb -0.30 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 3gym s HIS 172 CO 0.32 -0.82 -0.21 0.12 -0.85 0.00 0.00 174.74 173.30 3gym s PHE 172 N 1.26 1.90 -0.41 1.40 5.36 -1.26 -4.90 117.98 121.33 3gym s PHE 172 Ca 0.03 -0.37 -0.19 0.00 -0.96 0.00 0.00 56.93 55.44 3gym s PHE 172 Cb -0.14 -1.22 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 3gym s PHE 172 CO -0.12 -0.04 0.53 0.08 -1.46 0.00 0.00 175.22 174.21 3gym s VAL 172 N -0.46 4.97 0.94 3.12 1.01 -1.26 -5.06 120.40 123.66 3gym s VAL 172 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 3gym s VAL 172 Cb -0.08 -4.08 0.18 0.00 0.00 0.00 0.00 36.38 32.39 3gym s VAL 172 CO -0.01 -0.44 1.29 -1.10 0.00 0.00 0.00 175.10 174.85 3gym s GLN 172 N 2.46 0.83 0.55 2.72 -1.52 -1.26 -4.93 119.66 118.50 3gym s GLN 172 Ca 0.18 -0.30 0.28 0.00 -1.95 0.00 0.00 55.36 53.57 3gym s GLN 172 Cb -0.16 -1.86 1.58 0.00 -0.22 0.00 0.00 33.01 32.35 3gym s GLN 172 CO 0.16 -2.30 2.13 0.93 -0.25 0.00 0.00 175.29 175.95 3gym h GLU 178 N -1.56 0.00 -0.60 2.91 5.08 -1.97 -2.19 114.58 116.24 3gym h GLU 178 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3gym h GLU 178 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3gym h GLU 178 CO 0.43 0.08 0.00 -0.40 -1.00 0.00 0.00 179.01 178.12 3gym n ASP 179 N -3.69 2.52 -4.45 1.42 5.75 -1.26 -4.91 116.55 111.93 3gym n ASP 179 Ca -0.02 -2.23 -0.22 0.00 -0.01 0.00 0.00 54.79 52.31 3gym n ASP 179 Cb 0.19 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.75 3gym n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gym s MET 180 N -1.69 1.63 0.04 0.11 -1.94 -0.83 -0.74 119.30 115.89 3gym s MET 180 Ca 0.23 -1.88 -0.15 0.00 -1.71 0.00 0.00 55.69 52.18 3gym s MET 180 Cb 0.15 -0.98 0.03 0.00 2.01 0.00 0.00 34.83 36.04 3gym s MET 180 CO 0.10 -0.12 0.34 0.54 -0.01 0.00 0.00 175.02 175.88 3gym s VAL 181 N -3.19 0.07 0.08 -6.03 0.11 0.02 -4.74 120.40 106.72 3gym s VAL 181 Ca 0.34 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 3gym s VAL 181 Cb 0.07 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3gym s VAL 181 CO 0.14 -0.33 -0.01 0.00 -3.33 0.00 0.00 175.10 171.57 3gym s ALA 183 N -1.26 -0.45 0.00 0.00 0.00 -0.73 0.69 121.76 120.01 3gym s ALA 183 Ca 0.24 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3gym s ALA 183 Cb -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3gym s ALA 183 CO 0.16 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.24 3gym n GLY 184 N 3.14 -0.17 3.40 0.00 0.00 -0.61 -2.66 105.19 108.29 3gym n GLY 184 Ca -0.14 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3gym n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gym s TYR 184 N -2.81 2.46 0.15 1.61 2.02 -1.26 -4.21 117.35 115.31 3gym s TYR 184 Ca 0.00 -0.33 0.19 0.00 -0.37 0.00 0.00 57.07 56.56 3gym s TYR 184 Cb 0.00 -1.47 0.65 0.00 -0.40 0.00 0.00 41.96 40.74 3gym s TYR 184 CO 0.00 0.15 1.72 -0.39 -1.57 0.00 0.00 175.55 175.46 3gym h VAL 184 N 4.18 0.87 0.00 0.71 -1.51 -1.95 -3.42 116.25 115.13 3gym h VAL 184 Ca -0.46 -1.55 -0.14 0.00 -1.23 0.00 0.00 66.70 63.32 3gym h VAL 184 Cb 1.14 1.95 -0.02 0.00 -2.13 0.00 0.00 31.29 32.24 3gym h VAL 184 CO 0.46 0.37 -0.87 -0.33 -1.23 0.00 0.00 177.57 175.97 3gym h GLU 184 N 0.00 0.00 0.00 5.19 3.07 -1.95 0.21 114.58 121.10 3gym h GLU 184 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gym h GLU 184 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3gym h GLU 184 CO 0.05 0.75 0.00 0.41 -1.40 0.00 0.00 179.01 178.81 3gym n GLY 184 N 1.51 1.89 3.00 -3.84 0.00 -0.71 -4.49 105.19 102.55 3gym n GLY 184 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3gym n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gym s LYS 188 N -0.07 1.73 0.00 1.61 1.02 -1.26 -3.88 119.74 118.89 3gym s LYS 188 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3gym s LYS 188 Cb 0.00 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 3gym s LYS 188 CO 0.00 -0.06 0.00 -3.47 -0.92 0.00 0.00 175.35 170.90 3gym n ASP 189 N 4.14 0.00 -4.90 2.83 -0.08 -1.05 -4.14 116.55 113.35 3gym n ASP 189 Ca -0.20 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.78 3gym n ASP 189 Cb 0.51 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.93 3gym n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gym s ALA 190 N -2.00 3.63 0.00 -1.67 0.00 -1.26 -1.12 121.76 119.34 3gym s ALA 190 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3gym s ALA 190 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3gym s ALA 190 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 175.76 176.13 3gym n GLN 192 N 0.00 2.42 0.00 0.00 3.00 -1.26 -1.76 117.38 119.78 3gym n GLN 192 Ca 0.00 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 3gym n GLN 192 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 30.24 27.56 3gym n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gym n GLY 193 N 3.68 0.37 0.31 1.08 0.00 -1.26 -1.34 105.19 108.03 3gym n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3gym n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gym n ASP 194 N 0.00 1.65 -4.64 1.61 8.00 -0.72 -3.67 116.55 118.78 3gym n ASP 194 Ca 0.00 -1.32 -0.43 0.00 0.71 0.00 0.00 54.79 53.74 3gym n ASP 194 Cb 0.00 0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 41.76 3gym n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gym n SER 195 N -0.57 1.97 0.00 -2.24 7.64 -1.26 -0.99 113.62 118.17 3gym n SER 195 Ca 0.07 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.13 3gym n SER 195 Cb 0.42 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 3gym n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gym n GLY 196 N 1.01 1.83 3.75 0.23 0.00 -0.72 0.46 105.19 111.74 3gym n GLY 196 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3gym n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gym s GLY 197 N -1.99 1.80 0.23 -0.02 0.00 -0.16 -3.54 107.32 103.64 3gym s GLY 197 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 44.72 44.86 3gym s GLY 197 CO 0.00 0.76 0.84 2.56 0.00 0.00 0.00 173.10 177.26 3gym s PRO 198 N -4.67 4.57 -0.49 2.90 0.05 -1.26 -0.74 135.00 135.35 3gym s PRO 198 Ca 0.64 1.21 -0.13 0.00 0.05 0.00 0.00 61.00 62.76 3gym s PRO 198 Cb -0.19 -3.06 0.10 0.00 0.05 0.00 0.00 34.50 31.40 3gym s PRO 198 CO 0.53 0.45 0.40 -1.17 0.05 0.00 0.00 177.00 177.26 3gym s LEU 199 N -1.57 5.76 -0.23 -3.56 2.96 0.94 -3.49 118.68 119.51 3gym s LEU 199 Ca 0.42 -1.64 -0.15 0.00 -0.22 0.00 0.00 54.13 52.55 3gym s LEU 199 Cb -0.21 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 3gym s LEU 199 CO 0.26 -0.71 0.35 -0.44 -1.32 0.00 0.00 176.35 174.48 3gym s SER 200 N 2.89 6.33 -0.16 3.68 0.01 0.09 -0.66 113.70 125.87 3gym s SER 200 Ca 0.04 0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 3gym s SER 200 Cb -0.26 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3gym s SER 200 CO 0.03 -0.09 -0.11 0.00 0.41 0.00 0.00 173.24 173.48 3gym s PRO 202 N 0.79 4.35 -0.38 0.00 0.02 -1.26 -1.69 135.00 136.83 3gym s PRO 202 Ca -0.04 1.63 0.02 0.00 0.02 0.00 0.00 61.00 62.62 3gym s PRO 202 Cb -0.15 -3.57 0.11 0.00 0.02 0.00 0.00 34.50 30.91 3gym s PRO 202 CO 0.01 -0.45 0.15 0.08 -0.33 0.00 0.00 177.00 176.45 3gym s VAL 203 N 2.31 1.56 -0.51 3.83 1.01 0.10 -4.85 120.40 123.85 3gym s VAL 203 Ca 0.54 -2.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 3gym s VAL 203 Cb -0.23 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3gym s VAL 203 CO 0.20 -0.74 0.43 -0.62 0.00 0.00 0.00 175.10 174.37 3gym n GLU 204 N 4.10 -2.35 -2.33 2.72 1.02 -1.26 -3.88 120.64 118.66 3gym n GLU 204 Ca 0.03 0.38 -0.09 0.00 -0.02 0.00 0.00 57.16 57.47 3gym n GLU 204 Cb 0.38 -3.82 0.00 0.00 -0.02 0.00 0.00 31.44 27.99 3gym n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gym n GLY 205 N -1.15 0.08 3.38 0.62 0.00 -1.26 -5.00 105.19 101.85 3gym n GLY 205 Ca -0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3gym n GLY 205 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gym s LEU 206 N -2.72 -0.44 -0.22 0.99 0.20 -1.25 -5.14 118.68 110.09 3gym s LEU 206 Ca 0.05 1.09 -0.14 0.00 0.69 0.00 0.00 54.13 55.83 3gym s LEU 206 Cb -0.02 1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 47.34 3gym s LEU 206 CO 0.06 -0.21 0.30 0.26 -0.29 0.00 0.00 176.35 176.47 3gym s TRP 207 N 1.73 3.34 0.04 5.38 0.52 -1.26 0.02 118.94 128.71 3gym s TRP 207 Ca -0.08 0.44 0.05 0.00 0.02 0.00 0.00 56.10 56.52 3gym s TRP 207 Cb -0.08 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 3gym s TRP 207 CO -0.15 0.01 -0.07 0.71 0.02 0.00 0.00 176.95 177.47 3gym s TYR 208 N 1.26 2.86 -0.81 -1.98 2.02 -0.68 -3.60 117.35 116.41 3gym s TYR 208 Ca 0.14 -0.07 -0.22 0.00 -0.37 0.00 0.00 57.07 56.55 3gym s TYR 208 Cb -0.14 -1.55 0.09 0.00 -0.40 0.00 0.00 41.96 39.96 3gym s TYR 208 CO 0.07 0.40 1.11 -1.17 -1.57 0.00 0.00 175.55 174.39 3gym s LEU 209 N -1.77 4.40 0.04 -1.29 2.96 -0.46 -1.36 118.68 121.20 3gym s LEU 209 Ca 0.20 -1.39 -0.16 0.00 -0.22 0.00 0.00 54.13 52.56 3gym s LEU 209 Cb -0.11 -2.44 -0.31 0.00 0.50 0.00 0.00 46.19 43.83 3gym s LEU 209 CO 0.11 -1.35 1.06 0.74 -1.32 0.00 0.00 176.35 175.59 3gym h THR 210 N 6.04 1.31 -3.91 3.68 2.02 -1.23 -3.40 112.91 117.43 3gym h THR 210 Ca -0.06 -2.51 -0.10 0.00 0.77 0.00 0.00 66.41 64.51 3gym h THR 210 Cb 1.04 2.83 -0.13 0.00 -1.74 0.00 0.00 68.15 70.15 3gym h THR 210 CO 1.20 0.76 -0.37 -0.83 0.37 0.00 0.00 175.52 176.64 3gym s GLY 211 N -4.46 0.38 -0.20 2.16 0.00 -1.12 -1.42 107.32 102.65 3gym s GLY 211 Ca -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 3gym s GLY 211 CO 0.92 -0.88 -0.08 -0.42 0.00 0.00 0.00 173.10 172.65 3gym s ILE 212 N -3.93 3.12 -0.01 0.90 1.09 0.56 -0.04 121.20 122.88 3gym s ILE 212 Ca 0.13 -0.58 -0.38 0.00 -1.10 0.00 0.00 60.65 58.71 3gym s ILE 212 Cb 0.04 -2.39 -0.17 0.00 -1.06 0.00 0.00 42.46 38.88 3gym s ILE 212 CO -0.04 0.45 1.36 0.52 -0.10 0.00 0.00 174.94 177.14 3gym n VAL 213 N 4.63 0.05 0.00 2.92 0.31 0.08 -0.60 118.33 125.71 3gym n VAL 213 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3gym n VAL 213 Cb 0.51 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 3gym n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gym n SER 214 N 2.84 0.00 -3.14 4.52 2.88 -0.97 -1.76 113.62 118.00 3gym n SER 214 Ca 0.21 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 3gym n SER 214 Cb 0.15 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 3gym n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3gym s TRP 215 N -0.57 0.80 0.00 0.66 1.48 -0.86 -4.88 118.94 115.56 3gym s TRP 215 Ca 0.00 -1.16 0.00 0.00 -1.06 0.00 0.00 56.10 53.88 3gym s TRP 215 Cb 0.00 0.18 0.00 0.00 -1.16 0.00 0.00 33.47 32.49 3gym s TRP 215 CO 0.00 -1.27 0.00 0.41 -4.06 0.00 0.00 176.95 172.03 3gym n GLY 216 N -0.56 0.66 0.42 3.67 0.00 -1.26 -0.21 105.19 107.90 3gym n GLY 216 Ca -0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 3gym n GLY 216 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3gym h ASP 217 N 0.00 -0.88 0.00 1.61 1.82 -1.85 -3.46 116.42 113.65 3gym h ASP 217 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 3gym h ASP 217 Cb 0.00 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.24 3gym h ASP 217 CO 0.00 -0.57 0.00 0.00 -1.61 0.00 0.00 179.24 177.06 3gym n ALA 218 N -2.60 0.00 -3.15 -0.78 0.00 -1.26 -5.11 120.51 107.61 3gym n ALA 218 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3gym n ALA 218 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 3gym n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gym n GLY 220 N 5.30 0.95 3.76 0.00 0.00 -1.26 -4.58 105.19 109.35 3gym n GLY 220 Ca 0.02 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3gym n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gym s ALA 221 N -2.00 3.31 0.25 4.61 0.00 -1.26 -1.74 121.76 124.94 3gym s ALA 221 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 3gym s ALA 221 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3gym s ALA 221 CO 0.00 0.14 1.14 0.50 0.00 0.00 0.00 175.76 177.55 3gym s ARG 222 N -1.44 4.57 -1.82 0.00 3.52 -1.26 -3.18 118.95 119.34 3gym s ARG 222 Ca 0.44 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.89 3gym s ARG 222 Cb -0.25 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3gym s ARG 222 CO 0.31 0.09 0.00 0.09 -0.81 0.00 0.00 175.30 174.98 3gym n ASN 223 N 1.56 -5.26 -3.14 -2.12 3.02 0.75 -4.91 115.26 105.16 3gym n ASN 223 Ca 0.01 0.29 -0.18 0.00 -0.03 0.00 0.00 54.58 54.67 3gym n ASN 223 Cb 0.45 -4.36 -0.02 0.00 -0.61 0.00 0.00 39.78 35.23 3gym n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gym n ARG 224 N -2.57 0.95 -1.34 3.52 5.12 -1.19 -3.66 116.66 117.48 3gym n ARG 224 Ca -0.20 -3.19 -0.33 0.00 -1.93 0.00 0.00 57.85 52.20 3gym n ARG 224 Cb 0.63 -1.59 0.10 0.00 -1.16 0.00 0.00 32.46 30.44 3gym n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3gym s PRO 225 N -1.98 2.03 0.58 5.56 0.04 -1.26 -4.45 135.00 135.53 3gym s PRO 225 Ca 0.38 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 3gym s PRO 225 Cb 0.32 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.99 3gym s PRO 225 CO -0.08 -1.89 1.14 0.20 0.04 0.00 0.00 177.00 176.41 3gym s GLY 226 N -2.27 2.54 -0.08 0.56 0.00 -1.09 -4.74 107.32 102.24 3gym s GLY 226 Ca 0.72 0.79 0.01 0.00 0.00 0.00 0.00 44.72 46.24 3gym s GLY 226 CO 0.48 1.16 -0.09 0.14 0.00 0.00 0.00 173.10 174.78 3gym s VAL 227 N -1.87 3.51 0.07 1.40 1.01 0.70 -1.76 120.40 123.46 3gym s VAL 227 Ca 0.72 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3gym s VAL 227 Cb -0.24 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3gym s VAL 227 CO 0.32 0.58 -0.23 -0.31 0.00 0.00 0.00 175.10 175.46 3gym s TYR 228 N -0.57 1.98 -0.11 5.22 2.02 0.10 -2.04 117.35 123.95 3gym s TYR 228 Ca 0.08 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 3gym s TYR 228 Cb -0.12 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3gym s TYR 228 CO 0.02 0.16 1.13 0.99 -1.57 0.00 0.00 175.55 176.28 3gym s THR 229 N -0.92 4.48 0.07 -0.71 2.01 0.23 -0.80 115.64 119.99 3gym s THR 229 Ca 0.09 1.78 -0.31 0.00 0.31 0.00 0.00 61.69 63.56 3gym s THR 229 Cb -0.09 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 3gym s THR 229 CO 0.03 -0.04 1.71 -0.76 -0.69 0.00 0.00 174.62 174.87 3gym s LEU 230 N 2.46 4.37 0.19 4.42 1.43 0.08 -0.33 118.68 131.30 3gym s LEU 230 Ca 0.52 2.53 -0.07 0.00 -1.03 0.00 0.00 54.13 56.07 3gym s LEU 230 Cb -0.21 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.55 3gym s LEU 230 CO 0.18 -0.92 1.59 0.00 0.23 0.00 0.00 176.35 177.42 3gym h ALA 231 N 8.65 0.78 -0.12 4.21 0.00 -1.46 -3.21 119.26 128.11 3gym h ALA 231 Ca -0.43 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 3gym h ALA 231 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gym h ALA 231 CO 0.94 0.66 -0.14 0.66 0.00 0.00 0.00 179.25 181.36 3gym h SER 232 N 0.78 0.17 0.38 0.00 4.64 -1.79 -1.60 113.55 116.14 3gym h SER 232 Ca 0.11 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gym h SER 232 Cb 0.76 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3gym h SER 232 CO 0.06 0.34 0.00 -1.20 -0.87 0.00 0.00 176.83 175.16 3gym n SER 233 N -4.29 0.22 0.00 4.97 7.64 -1.21 -2.33 113.62 118.63 3gym n SER 233 Ca -0.01 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3gym n SER 233 Cb 0.26 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 3gym n SER 233 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3gym n TYR 234 N -1.76 0.00 -0.16 1.43 4.01 -0.66 -4.78 117.16 115.23 3gym n TYR 234 Ca 0.02 -0.21 -0.02 0.00 -0.16 0.00 0.00 57.90 57.53 3gym n TYR 234 Cb 0.13 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.21 3gym n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gym h ALA 235 N 0.00 0.51 -0.51 -0.72 0.00 -1.00 -0.12 119.26 117.43 3gym h ALA 235 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3gym h ALA 235 Cb 0.44 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3gym h ALA 235 CO 0.00 -0.37 -0.41 1.03 0.00 0.00 0.00 179.25 179.50 3gym h SER 236 N 0.14 -1.39 -0.10 0.00 0.87 -1.86 0.68 113.55 111.89 3gym h SER 236 Ca 0.26 0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3gym h SER 236 Cb 0.39 0.63 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3gym h SER 236 CO -0.41 -0.34 0.05 -0.25 -0.53 0.00 0.00 176.83 175.35 3gym h TRP 237 N -0.25 0.14 -0.46 2.24 7.01 -1.54 -2.91 115.95 120.17 3gym h TRP 237 Ca 0.17 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.12 3gym h TRP 237 Cb 0.57 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 3gym h TRP 237 CO -0.66 0.18 0.08 0.82 -2.79 0.00 0.00 178.44 176.07 3gym h ILE 238 N 0.05 1.21 0.00 2.65 2.04 -0.62 0.47 117.51 123.32 3gym h ILE 238 Ca 0.03 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3gym h ILE 238 Cb 0.09 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3gym h ILE 238 CO -0.00 0.29 -0.03 -0.61 0.00 0.00 0.00 178.15 177.79 3gym h GLN 239 N 0.68 0.00 -0.26 2.37 5.75 -0.72 -2.11 115.11 120.83 3gym h GLN 239 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3gym h GLN 239 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3gym h GLN 239 CO 0.00 0.03 0.00 -1.13 -2.65 0.00 0.00 178.83 175.09 3gym n SER 240 N -3.33 0.26 -2.85 -0.69 3.41 0.16 -3.24 113.62 107.33 3gym n SER 240 Ca -0.02 -1.29 -0.11 0.00 -0.26 0.00 0.00 58.87 57.19 3gym n SER 240 Cb 0.16 -0.13 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3gym n SER 240 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3gym n LYS 241 N -0.23 0.79 0.00 4.33 0.00 -0.79 -5.11 118.16 117.15 3gym n LYS 241 Ca 0.00 -2.08 0.00 0.00 -0.00 0.00 0.00 58.31 56.23 3gym n LYS 241 Cb 0.06 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.70 3gym n LYS 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68