#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdd s VAL 17 N 0.00 5.22 0.01 1.39 1.01 -0.25 -4.16 120.40 123.62 2gdd s VAL 17 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2gdd s VAL 17 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2gdd s VAL 17 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2gdd n GLY 18 N 2.86 -2.03 7.00 4.51 0.00 -1.22 -2.54 105.19 113.77 2gdd n GLY 18 Ca -0.12 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2gdd n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdd n GLY 19 N -0.27 -0.91 3.11 -0.02 0.00 -1.26 -4.82 105.19 101.02 2gdd n GLY 19 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 2gdd n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdd n GLN 20 N -0.82 0.85 -1.81 1.61 10.64 -0.69 -4.95 117.38 122.20 2gdd n GLN 20 Ca 0.00 -2.09 -0.40 0.00 -1.83 0.00 0.00 57.00 52.68 2gdd n GLN 20 Cb 0.00 2.37 0.01 0.00 -0.86 0.00 0.00 30.24 31.75 2gdd n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2gdd s GLU 21 N -2.29 3.88 0.03 2.61 2.12 -1.26 -1.16 118.70 122.62 2gdd s GLU 21 Ca 0.18 2.48 -0.19 0.00 0.36 0.00 0.00 54.97 57.80 2gdd s GLU 21 Cb -0.03 -2.79 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 2gdd s GLU 21 CO 0.13 -0.69 0.54 0.00 -0.54 0.00 0.00 175.26 174.70 2gdd s ALA 22 N -1.17 3.59 0.55 6.30 0.00 0.15 -4.80 121.76 126.37 2gdd s ALA 22 Ca 0.57 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 2gdd s ALA 22 Cb -0.45 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2gdd s ALA 22 CO 0.59 0.35 1.32 -2.30 0.00 0.00 0.00 175.76 175.72 2gdd n PRO 23 N 2.02 1.60 0.00 0.00 -0.02 -1.26 -4.84 135.00 132.50 2gdd n PRO 23 Ca -0.10 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 2gdd n PRO 23 Cb 0.51 -2.53 0.33 0.00 -0.02 0.00 0.00 33.50 31.80 2gdd n PRO 23 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2gdd n ARG 24 N -1.00 0.19 -0.20 -0.52 1.85 -1.26 -2.21 116.66 113.51 2gdd n ARG 24 Ca 0.11 0.16 0.11 0.00 -1.00 0.00 0.00 57.85 57.23 2gdd n ARG 24 Cb 0.45 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.61 2gdd n ARG 24 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2gdd n SER 25 N -1.28 3.22 -4.56 2.89 3.41 -1.26 -4.92 113.62 111.12 2gdd n SER 25 Ca 0.06 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 2gdd n SER 25 Cb 0.10 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 2gdd n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gdd s LYS 26 N -1.46 2.21 -0.96 4.33 3.01 -0.94 -4.74 119.74 121.19 2gdd s LYS 26 Ca 0.39 -0.95 -0.01 0.00 -1.01 0.00 0.00 55.97 54.39 2gdd s LYS 26 Cb 0.22 -2.33 0.00 0.00 -1.01 0.00 0.00 37.83 34.71 2gdd s LYS 26 CO 0.31 0.53 0.81 0.91 0.51 0.00 0.00 175.35 178.41 2gdd n TRP 27 N 1.03 -1.80 0.13 3.18 5.03 -1.26 -4.87 117.44 118.88 2gdd n TRP 27 Ca -0.14 0.74 0.02 0.00 3.03 0.00 0.00 57.50 61.15 2gdd n TRP 27 Cb 0.52 -4.37 0.07 0.00 -1.03 0.00 0.00 31.31 26.50 2gdd n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2gdd n PRO 28 N -3.54 0.02 0.00 -0.99 -0.04 -1.26 -2.15 135.00 127.04 2gdd n PRO 28 Ca -0.19 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2gdd n PRO 28 Cb 0.62 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 2gdd n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2gdd n TRP 29 N -1.39 0.00 -1.83 0.54 2.14 -1.17 -1.98 117.44 113.76 2gdd n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 2gdd n TRP 29 Cb 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.51 2gdd n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2gdd s GLN 30 N -2.71 4.16 0.19 -2.67 2.00 -0.91 -0.61 119.66 119.10 2gdd s GLN 30 Ca 0.10 2.51 0.02 0.00 -2.00 0.00 0.00 55.36 55.99 2gdd s GLN 30 Cb 0.15 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.86 2gdd s GLN 30 CO 0.73 -0.60 0.02 0.14 -0.50 0.00 0.00 175.29 175.08 2gdd s VAL 31 N 0.23 0.67 -0.08 1.34 -7.23 -1.08 -2.12 120.40 112.13 2gdd s VAL 31 Ca 0.64 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 2gdd s VAL 31 Cb -0.47 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2gdd s VAL 31 CO 0.44 -0.39 -0.18 -0.55 -0.31 0.00 0.00 175.10 174.11 2gdd s SER 32 N -3.20 2.41 -0.09 4.85 0.15 0.73 -2.40 113.70 116.15 2gdd s SER 32 Ca 0.26 -0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.32 2gdd s SER 32 Cb 0.06 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.28 2gdd s SER 32 CO 0.06 0.11 0.47 -0.76 1.20 0.00 0.00 173.24 174.31 2gdd s LEU 33 N 0.43 4.32 0.04 3.45 1.43 0.80 -0.76 118.68 128.40 2gdd s LEU 33 Ca -0.15 0.86 0.08 0.00 -1.03 0.00 0.00 54.13 53.89 2gdd s LEU 33 Cb -0.16 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2gdd s LEU 33 CO 0.06 0.07 -0.21 -0.13 0.23 0.00 0.00 176.35 176.37 2gdd s ARG 34 N 0.27 2.01 0.07 1.70 1.81 0.20 -1.58 118.95 123.43 2gdd s ARG 34 Ca 0.26 -1.01 0.10 0.00 -1.72 0.00 0.00 55.73 53.36 2gdd s ARG 34 Cb -0.16 -2.13 -0.03 0.00 -0.45 0.00 0.00 34.95 32.18 2gdd s ARG 34 CO 0.11 0.54 -0.26 0.54 -0.68 0.00 0.00 175.30 175.54 2gdd s VAL 35 N -0.88 2.17 -0.15 3.52 0.11 0.31 -1.77 120.40 123.72 2gdd s VAL 35 Ca 0.14 -1.51 -0.29 0.00 -2.93 0.00 0.00 61.98 57.38 2gdd s VAL 35 Cb -0.10 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.85 2gdd s VAL 35 CO 0.04 0.27 1.29 -2.28 -3.33 0.00 0.00 175.10 171.09 2gdd s HIS 36 N -0.89 2.79 0.00 1.54 2.46 -0.61 -2.20 115.29 118.39 2gdd s HIS 36 Ca 0.12 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.60 2gdd s HIS 36 Cb -0.10 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.81 2gdd s HIS 36 CO 0.03 -1.88 0.00 0.41 -2.47 0.00 0.00 174.74 170.84 2gdd n GLY 37 N 3.64 4.01 0.33 1.59 0.00 -1.26 -4.96 105.19 108.54 2gdd n GLY 37 Ca 0.14 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 45.83 2gdd n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gdd h PRO 37 N 0.00 0.00 -3.31 1.61 0.11 -2.04 -3.42 132.00 124.94 2gdd h PRO 37 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2gdd h PRO 37 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2gdd h PRO 37 CO 0.00 0.00 0.04 1.52 -0.21 0.00 0.00 178.00 179.35 2gdd s TYR 37 N -4.58 -0.02 -1.03 0.65 1.13 -1.26 -5.08 117.35 107.16 2gdd s TYR 37 Ca -0.05 -0.35 -0.23 0.00 -1.41 0.00 0.00 57.07 55.03 2gdd s TYR 37 Cb 0.15 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 41.47 2gdd s TYR 37 CO 0.52 -1.01 1.50 -1.58 -2.51 0.00 0.00 175.55 172.47 2gdd s TRP 38 N -3.92 2.49 0.20 -3.49 0.52 -1.26 -4.67 118.94 108.82 2gdd s TRP 38 Ca 0.13 -0.78 -0.28 0.00 0.02 0.00 0.00 56.10 55.19 2gdd s TRP 38 Cb -0.02 -4.66 -0.09 0.00 -1.15 0.00 0.00 33.47 27.56 2gdd s TRP 38 CO 0.02 -1.92 0.86 1.41 0.02 0.00 0.00 176.95 177.34 2gdd s MET 39 N 5.08 4.71 0.10 4.98 1.75 -0.93 -4.71 119.30 130.28 2gdd s MET 39 Ca 0.48 1.32 -0.31 0.00 -1.25 0.00 0.00 55.69 55.94 2gdd s MET 39 Cb -0.00 -3.27 -0.07 0.00 2.84 0.00 0.00 34.83 34.33 2gdd s MET 39 CO -0.08 0.54 1.25 -1.58 -0.65 0.00 0.00 175.02 174.50 2gdd s HIS 40 N -1.17 3.38 0.00 4.11 2.46 -1.26 -0.53 115.29 122.28 2gdd s HIS 40 Ca 0.38 1.23 0.00 0.00 0.47 0.00 0.00 55.06 57.15 2gdd s HIS 40 Cb -0.25 -3.49 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 2gdd s HIS 40 CO 0.29 -1.56 0.00 1.97 -2.47 0.00 0.00 174.74 172.97 2gdd n PHE 41 N 3.64 0.00 -3.63 3.88 -1.74 -0.62 -4.94 117.46 114.05 2gdd n PHE 41 Ca 0.09 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.91 2gdd n PHE 41 Cb 0.45 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.43 2gdd n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2gdd n GLY 43 N -0.37 2.39 0.18 0.00 0.00 0.18 -0.14 105.19 107.42 2gdd n GLY 43 Ca -0.08 -2.23 -0.00 0.00 0.00 0.00 0.00 46.02 43.72 2gdd n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdd n GLY 44 N 0.40 1.02 3.24 -0.02 0.00 -1.01 -3.73 105.19 105.09 2gdd n GLY 44 Ca 0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2gdd n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gdd s SER 45 N -1.12 -0.33 -0.35 1.61 1.04 -0.82 -2.65 113.70 111.08 2gdd s SER 45 Ca 0.01 0.57 -0.23 0.00 0.48 0.00 0.00 55.95 56.78 2gdd s SER 45 Cb -0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2gdd s SER 45 CO 0.00 -0.19 0.78 -0.22 0.98 0.00 0.00 173.24 174.59 2gdd s LEU 46 N -0.15 4.13 0.00 2.42 2.96 0.22 -1.03 118.68 127.23 2gdd s LEU 46 Ca -0.03 0.40 0.13 0.00 -0.22 0.00 0.00 54.13 54.41 2gdd s LEU 46 Cb -0.03 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2gdd s LEU 46 CO 0.01 -0.71 0.73 2.30 -1.32 0.00 0.00 176.35 177.36 2gdd n ILE 47 N 5.74 0.00 -3.58 6.68 -5.35 -0.74 -0.44 119.36 121.68 2gdd n ILE 47 Ca 0.03 -0.36 -0.14 0.00 -0.27 0.00 0.00 62.75 62.01 2gdd n ILE 47 Cb 0.48 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.46 2gdd n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2gdd s HIS 48 N -1.65 -0.63 0.58 4.28 5.04 -1.16 -4.66 115.29 117.09 2gdd s HIS 48 Ca 0.10 1.31 0.38 0.00 -1.54 0.00 0.00 55.06 55.32 2gdd s HIS 48 Cb 0.10 0.36 1.37 0.00 0.04 0.00 0.00 32.58 34.46 2gdd s HIS 48 CO 0.34 -0.44 1.52 -1.35 -2.34 0.00 0.00 174.74 172.46 2gdd h PRO 49 N 3.74 0.00 0.00 2.88 0.11 -1.93 0.17 132.00 136.97 2gdd h PRO 49 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2gdd h PRO 49 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2gdd h PRO 49 CO 0.23 0.00 -0.02 0.94 -0.21 0.00 0.00 178.00 178.94 2gdd n GLN 50 N -3.67 2.24 -4.31 1.05 7.27 -1.26 -0.59 117.38 118.11 2gdd n GLN 50 Ca 0.31 -1.58 -0.20 0.00 0.07 0.00 0.00 57.00 55.61 2gdd n GLN 50 Cb 1.64 -1.02 -0.16 0.00 2.41 0.00 0.00 30.24 33.11 2gdd n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2gdd s TRP 51 N -1.21 0.87 -0.15 3.69 0.52 0.59 -1.16 118.94 122.09 2gdd s TRP 51 Ca 0.06 -0.23 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 2gdd s TRP 51 Cb 0.05 -0.66 -0.02 0.00 -1.15 0.00 0.00 33.47 31.70 2gdd s TRP 51 CO 0.01 -0.13 -0.10 0.08 0.02 0.00 0.00 176.95 176.82 2gdd s VAL 52 N 0.42 3.26 -0.18 4.03 1.01 0.26 -1.78 120.40 127.42 2gdd s VAL 52 Ca -0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2gdd s VAL 52 Cb -0.10 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2gdd s VAL 52 CO 0.01 0.51 0.26 -0.22 0.00 0.00 0.00 175.10 175.66 2gdd s LEU 53 N 0.49 4.22 0.00 3.92 2.96 -0.20 -0.23 118.68 129.84 2gdd s LEU 53 Ca -0.07 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 2gdd s LEU 53 Cb -0.15 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.22 2gdd s LEU 53 CO 0.04 0.10 0.10 1.07 -1.32 0.00 0.00 176.35 176.33 2gdd n THR 54 N 3.68 0.00 -3.40 3.68 5.66 -0.53 -1.95 114.28 121.42 2gdd n THR 54 Ca -0.12 -0.43 -0.37 0.00 -3.05 0.00 0.00 64.05 60.07 2gdd n THR 54 Cb 0.52 0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 69.49 2gdd n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gdd s ALA 55 N -1.94 3.54 0.25 1.79 0.00 -1.26 -0.43 121.76 123.72 2gdd s ALA 55 Ca 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 2gdd s ALA 55 Cb -0.00 -2.54 0.42 0.00 0.00 0.00 0.00 23.12 21.00 2gdd s ALA 55 CO 0.05 0.11 1.83 0.00 0.00 0.00 0.00 175.76 177.75 2gdd h ALA 56 N 6.36 1.28 0.00 0.00 0.00 -1.70 0.13 119.26 125.32 2gdd h ALA 56 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2gdd h ALA 56 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2gdd h ALA 56 CO 0.73 0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.80 2gdd n HIS 57 N -4.66 0.44 0.10 0.00 1.44 -1.26 -0.69 115.22 110.58 2gdd n HIS 57 Ca 0.15 0.20 -0.04 0.00 -2.01 0.00 0.00 57.72 56.02 2gdd n HIS 57 Cb 0.26 -0.82 0.02 0.00 0.12 0.00 0.00 29.99 29.57 2gdd n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gdd n VAL 59 N -3.54 1.24 -3.10 0.00 0.24 0.03 -5.01 118.33 108.20 2gdd n VAL 59 Ca -0.00 -1.92 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 2gdd n VAL 59 Cb 0.78 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 2gdd n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gdd n GLY 60 N -0.64 1.33 0.28 7.63 0.00 0.13 -4.61 105.19 109.31 2gdd n GLY 60 Ca 0.12 -0.77 0.17 0.00 0.00 0.00 0.00 46.02 45.54 2gdd n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gdd h PRO 60 N 0.00 0.00 -6.95 1.61 0.13 -1.79 -3.40 132.00 121.59 2gdd h PRO 60 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2gdd h PRO 60 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 2gdd h PRO 60 CO 0.00 0.06 0.50 -0.51 -0.23 0.00 0.00 178.00 177.82 2gdd s ASP 60 N -5.74 6.51 0.25 1.44 1.01 -1.26 -4.95 116.67 113.92 2gdd s ASP 60 Ca -0.01 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 2gdd s ASP 60 Cb 0.11 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 2gdd s ASP 60 CO 0.53 -0.69 1.57 -0.69 0.21 0.00 0.00 175.17 176.11 2gdd s VAL 60 N -1.43 2.27 0.44 -1.27 1.01 -1.26 -5.01 120.40 115.14 2gdd s VAL 60 Ca 0.58 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.85 2gdd s VAL 60 Cb -0.30 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2gdd s VAL 60 CO 0.38 0.03 0.43 -0.54 0.00 0.00 0.00 175.10 175.40 2gdd s LYS 60 N -0.04 2.54 -0.36 2.72 -0.14 -1.26 -5.09 119.74 118.11 2gdd s LYS 60 Ca 0.65 -1.54 -0.13 0.00 -1.36 0.00 0.00 55.97 53.58 2gdd s LYS 60 Cb -0.46 -2.42 -0.00 0.00 -1.68 0.00 0.00 37.83 33.27 2gdd s LYS 60 CO 0.43 -0.27 0.24 0.34 -0.76 0.00 0.00 175.35 175.33 2gdd s ASP 60 N -4.20 5.98 0.31 2.83 3.68 -1.26 -4.98 116.67 119.04 2gdd s ASP 60 Ca 0.49 -0.61 0.06 0.00 2.13 0.00 0.00 52.55 54.61 2gdd s ASP 60 Cb -0.04 -2.12 0.74 0.00 -1.45 0.00 0.00 42.92 40.05 2gdd s ASP 60 CO 0.29 -0.30 1.79 -0.07 0.13 0.00 0.00 175.17 177.00 2gdd h LEU 61 N 8.51 0.79 -1.64 -1.34 4.07 -1.95 -1.39 115.31 122.35 2gdd h LEU 61 Ca -0.30 0.09 0.24 0.00 0.08 0.00 0.00 57.88 57.99 2gdd h LEU 61 Cb 1.14 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 2gdd h LEU 61 CO 0.66 0.30 0.64 0.00 -1.08 0.00 0.00 178.44 178.96 2gdd h ALA 62 N 1.63 2.43 -0.15 1.53 0.00 -1.93 0.15 119.26 122.92 2gdd h ALA 62 Ca 0.56 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2gdd h ALA 62 Cb 0.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2gdd h ALA 62 CO -0.35 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.16 2gdd n ALA 63 N -2.58 2.53 -2.48 0.00 0.00 -0.52 -4.88 120.51 112.58 2gdd n ALA 63 Ca 0.20 -0.42 -0.31 0.00 0.00 0.00 0.00 53.44 52.91 2gdd n ALA 63 Cb 0.83 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 2gdd n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2gdd s LEU 64 N -1.47 2.72 0.05 0.00 2.96 0.52 -1.57 118.68 121.90 2gdd s LEU 64 Ca 0.29 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2gdd s LEU 64 Cb 0.15 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.27 2gdd s LEU 64 CO 0.23 0.27 0.23 -0.13 -1.32 0.00 0.00 176.35 175.63 2gdd s ARG 65 N -1.37 0.75 -0.03 1.98 1.81 -0.73 -4.28 118.95 117.09 2gdd s ARG 65 Ca 0.15 -0.62 0.07 0.00 -1.72 0.00 0.00 55.73 53.61 2gdd s ARG 65 Cb -0.11 0.31 -0.02 0.00 -0.45 0.00 0.00 34.95 34.69 2gdd s ARG 65 CO 0.05 -0.23 -0.25 0.08 -0.68 0.00 0.00 175.30 174.27 2gdd s VAL 66 N -2.68 2.02 -0.16 3.52 1.01 -0.32 -0.63 120.40 123.17 2gdd s VAL 66 Ca -0.04 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2gdd s VAL 66 Cb -0.00 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2gdd s VAL 66 CO -0.04 0.57 -0.20 -1.58 0.00 0.00 0.00 175.10 173.84 2gdd s GLN 67 N -0.47 2.92 1.03 2.72 2.00 0.06 -0.50 119.66 127.43 2gdd s GLN 67 Ca 0.06 -0.81 -0.16 0.00 -2.00 0.00 0.00 55.36 52.45 2gdd s GLN 67 Cb -0.11 -2.47 0.21 0.00 0.80 0.00 0.00 33.01 31.45 2gdd s GLN 67 CO 0.00 -0.14 1.20 -0.51 -0.50 0.00 0.00 175.29 175.34 2gdd s LEU 68 N 1.13 1.80 -0.33 3.68 1.43 -1.26 -0.19 118.68 124.93 2gdd s LEU 68 Ca 0.00 0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 2gdd s LEU 68 Cb -0.14 -2.59 -0.13 0.00 0.03 0.00 0.00 46.19 43.36 2gdd s LEU 68 CO -0.09 -3.18 1.33 -1.14 0.23 0.00 0.00 176.35 173.50 2gdd n ARG 69 N -4.12 0.00 -4.84 1.70 0.00 -0.90 -4.72 116.66 103.77 2gdd n ARG 69 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.72 2gdd n ARG 69 Cb 0.59 -1.00 -0.16 0.00 0.00 0.00 0.00 32.46 31.90 2gdd n ARG 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2gdd s GLU 70 N 3.47 1.53 0.08 -0.14 2.02 -1.26 -5.04 118.70 119.36 2gdd s GLU 70 Ca 0.77 -0.62 -0.14 0.00 0.02 0.00 0.00 54.97 55.00 2gdd s GLU 70 Cb -1.00 -1.43 -0.19 0.00 0.10 0.00 0.00 34.13 31.61 2gdd s GLU 70 CO 0.47 0.34 1.25 0.37 0.02 0.00 0.00 175.26 177.70 2gdd h GLN 71 N 5.87 0.70 -3.89 1.61 5.75 -1.93 -3.42 115.11 119.81 2gdd h GLN 71 Ca -0.36 -0.63 -0.50 0.00 -0.15 0.00 0.00 58.65 57.01 2gdd h GLN 71 Cb 1.16 0.15 -0.38 0.00 1.07 0.00 0.00 27.48 29.47 2gdd h GLN 71 CO 0.48 1.23 -0.78 -1.01 -2.65 0.00 0.00 178.83 176.10 2gdd s HIS 72 N -3.59 1.19 0.30 3.99 3.76 -1.26 -1.48 115.29 118.20 2gdd s HIS 72 Ca -0.11 -0.69 -0.27 0.00 -0.15 0.00 0.00 55.06 53.84 2gdd s HIS 72 Cb 0.07 -1.08 -0.14 0.00 1.11 0.00 0.00 32.58 32.54 2gdd s HIS 72 CO 0.89 -0.51 0.86 1.28 -0.85 0.00 0.00 174.74 176.41 2gdd n LEU 73 N 5.01 1.06 0.00 0.89 4.77 -0.35 -2.38 117.00 126.00 2gdd n LEU 73 Ca -0.10 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2gdd n LEU 73 Cb 0.49 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2gdd n LEU 73 CO 0.14 -1.90 0.00 -1.22 -1.33 0.00 0.00 177.39 173.08 2gdd n TYR 74 N -0.02 0.00 0.03 -1.77 4.01 -1.26 -4.80 117.16 113.34 2gdd n TYR 74 Ca 0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.66 2gdd n TYR 74 Cb 0.32 -0.21 -0.12 0.00 -0.31 0.00 0.00 39.34 39.02 2gdd n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2gdd h TYR 75 N 0.00 0.68 -1.62 -0.72 0.05 -1.83 -3.36 116.97 110.17 2gdd h TYR 75 Ca 0.00 -0.41 -0.58 0.00 0.05 0.00 0.00 58.73 57.79 2gdd h TYR 75 Cb 0.00 -0.06 -0.42 0.00 1.01 0.00 0.00 36.73 37.26 2gdd h TYR 75 CO 0.00 1.25 -0.74 1.04 -1.05 0.00 0.00 178.16 178.67 2gdd n GLN 79 N -4.11 3.31 -1.81 4.88 1.13 -1.26 -5.08 117.38 114.45 2gdd n GLN 79 Ca -0.12 -4.51 -0.41 0.00 -1.94 0.00 0.00 57.00 50.02 2gdd n GLN 79 Cb 0.77 -2.21 -0.01 0.00 0.11 0.00 0.00 30.24 28.89 2gdd n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gdd s ASP 80 N -3.51 6.39 -0.45 1.08 1.11 -1.26 -4.98 116.67 115.05 2gdd s ASP 80 Ca 0.47 2.95 0.06 0.00 0.18 0.00 0.00 52.55 56.21 2gdd s ASP 80 Cb 0.38 -2.64 0.20 0.00 1.07 0.00 0.00 42.92 41.93 2gdd s ASP 80 CO -0.17 -0.88 0.56 0.00 1.18 0.00 0.00 175.17 175.85 2gdd n GLN 81 N 1.75 0.45 -2.04 8.23 6.02 -1.26 -5.13 117.38 125.39 2gdd n GLN 81 Ca 0.06 -2.66 -0.42 0.00 -0.01 0.00 0.00 57.00 53.97 2gdd n GLN 81 Cb 0.38 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2gdd n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gdd s LEU 82 N -0.00 4.36 -0.15 1.08 1.43 -1.26 -4.62 118.68 119.52 2gdd s LEU 82 Ca 0.32 2.45 -0.05 0.00 -1.03 0.00 0.00 54.13 55.83 2gdd s LEU 82 Cb 0.07 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2gdd s LEU 82 CO -0.15 -0.76 0.01 -0.76 0.23 0.00 0.00 176.35 174.92 2gdd s LEU 83 N 1.47 3.54 0.85 1.79 1.43 0.34 -4.90 118.68 123.21 2gdd s LEU 83 Ca 0.68 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2gdd s LEU 83 Cb -0.40 -1.86 0.10 0.00 0.03 0.00 0.00 46.19 44.07 2gdd s LEU 83 CO 0.31 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 176.04 2gdd s PRO 84 N 0.08 1.61 -0.08 1.29 0.04 -1.26 -1.17 135.00 135.50 2gdd s PRO 84 Ca 0.02 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.11 2gdd s PRO 84 Cb -0.13 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2gdd s PRO 84 CO 0.02 -2.05 -0.20 0.08 0.04 0.00 0.00 177.00 174.89 2gdd s VAL 85 N -2.89 2.52 -0.13 -0.36 1.01 -1.26 -3.21 120.40 116.08 2gdd s VAL 85 Ca 0.63 -0.89 0.19 0.00 0.00 0.00 0.00 61.98 61.91 2gdd s VAL 85 Cb -0.18 -1.98 -0.24 0.00 0.00 0.00 0.00 36.38 33.98 2gdd s VAL 85 CO 0.57 0.56 0.42 -1.54 0.00 0.00 0.00 175.10 175.11 2gdd n SER 86 N 3.02 0.27 -3.76 3.32 3.41 0.13 -4.84 113.62 115.18 2gdd n SER 86 Ca -0.18 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.42 2gdd n SER 86 Cb 0.52 1.00 -0.10 0.00 -0.26 0.00 0.00 64.21 65.38 2gdd n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gdd s ARG 87 N -2.90 0.51 -0.26 4.33 0.52 -1.12 -4.99 118.95 115.04 2gdd s ARG 87 Ca -0.07 0.21 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 2gdd s ARG 87 Cb 0.09 0.24 0.07 0.00 0.52 0.00 0.00 34.95 35.86 2gdd s ARG 87 CO 0.85 -0.10 -0.06 0.42 0.02 0.00 0.00 175.30 176.43 2gdd s ILE 88 N -0.43 1.84 -0.39 1.52 1.01 -1.26 -1.16 121.20 122.34 2gdd s ILE 88 Ca -0.05 -1.52 -0.08 0.00 0.00 0.00 0.00 60.65 58.99 2gdd s ILE 88 Cb -0.04 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.41 2gdd s ILE 88 CO 0.02 -0.15 0.20 -0.63 0.00 0.00 0.00 174.94 174.38 2gdd s ILE 89 N 1.23 4.10 -0.15 2.92 1.01 0.04 -4.98 121.20 125.36 2gdd s ILE 89 Ca -0.05 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.23 2gdd s ILE 89 Cb -0.19 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2gdd s ILE 89 CO -0.07 -0.38 0.18 -0.69 0.00 0.00 0.00 174.94 173.98 2gdd s VAL 90 N 1.42 5.40 0.08 2.92 1.01 -1.26 -0.86 120.40 129.11 2gdd s VAL 90 Ca 0.02 0.31 -0.35 0.00 0.00 0.00 0.00 61.98 61.96 2gdd s VAL 90 Cb -0.21 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 2gdd s VAL 90 CO 0.03 0.50 1.63 1.57 0.00 0.00 0.00 175.10 178.82 2gdd n HIS 91 N 2.93 2.19 0.34 5.22 -0.00 -1.11 -4.83 115.22 119.96 2gdd n HIS 91 Ca -0.16 0.26 0.22 0.00 0.46 0.00 0.00 57.72 58.50 2gdd n HIS 91 Cb 0.53 -2.54 1.19 0.00 -0.12 0.00 0.00 29.99 29.05 2gdd n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2gdd h PRO 92 N 6.58 0.00 -0.00 1.57 0.13 -1.93 -1.85 132.00 136.49 2gdd h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2gdd h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2gdd h PRO 92 CO 0.89 0.00 -0.30 1.04 -0.23 0.00 0.00 178.00 179.40 2gdd n GLN 93 N -3.13 0.56 -2.56 0.86 6.02 -1.26 -4.92 117.38 112.96 2gdd n GLN 93 Ca -0.03 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.00 56.25 2gdd n GLN 93 Cb 0.08 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 2gdd n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2gdd s PHE 94 N -2.65 3.69 0.00 1.08 5.36 -0.70 -4.85 117.98 119.90 2gdd s PHE 94 Ca 0.21 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 2gdd s PHE 94 Cb 0.19 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 2gdd s PHE 94 CO 0.56 -0.26 0.00 0.98 -1.46 0.00 0.00 175.22 175.04 2gdd n TYR 95 N 1.24 -0.40 -3.91 10.12 9.36 -1.26 -4.92 117.16 127.38 2gdd n TYR 95 Ca -0.01 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.11 2gdd n TYR 95 Cb 0.46 0.39 -0.10 0.00 -0.63 0.00 0.00 39.34 39.46 2gdd n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2gdd s THR 96 N -1.79 0.11 0.25 2.97 -4.23 -1.26 -4.52 115.64 107.18 2gdd s THR 96 Ca 0.00 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 2gdd s THR 96 Cb 0.00 -0.69 0.26 0.00 1.34 0.00 0.00 72.50 73.41 2gdd s THR 96 CO 0.00 -0.52 1.92 0.00 -0.54 0.00 0.00 174.62 175.48 2gdd h ALA 97 N 3.94 1.30 0.00 3.99 0.00 -1.96 -2.17 119.26 124.36 2gdd h ALA 97 Ca -0.32 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2gdd h ALA 97 Cb 1.19 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2gdd h ALA 97 CO 0.46 0.61 -0.23 1.96 0.00 0.00 0.00 179.25 182.06 2gdd h GLN 98 N 1.32 0.00 0.09 0.00 7.50 -1.96 -2.78 115.11 119.28 2gdd h GLN 98 Ca 0.38 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.29 2gdd h GLN 98 Cb -0.09 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.47 2gdd h GLN 98 CO -0.10 0.23 -1.01 0.82 -1.50 0.00 0.00 178.83 177.27 2gdd h ILE 99 N 0.00 1.36 0.00 2.54 2.04 -1.81 -3.47 117.51 118.17 2gdd h ILE 99 Ca -0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 2gdd h ILE 99 Cb 0.51 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2gdd h ILE 99 CO 0.03 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.50 2gdd n GLY 100 N 1.35 0.71 2.48 5.37 0.00 -0.87 -5.00 105.19 109.23 2gdd n GLY 100 Ca -0.13 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.53 2gdd n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdd n ALA 101 N -1.00 -0.71 -2.38 4.61 0.00 -1.26 -4.45 120.51 115.33 2gdd n ALA 101 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2gdd n ALA 101 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 2gdd n ALA 101 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gdd s ASP 102 N -2.11 6.11 -0.13 0.00 2.15 -1.26 -4.39 116.67 117.04 2gdd s ASP 102 Ca 0.03 -2.09 -0.26 0.00 0.43 0.00 0.00 52.55 50.66 2gdd s ASP 102 Cb -0.02 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2gdd s ASP 102 CO 0.04 -1.94 0.63 -0.51 -0.17 0.00 0.00 175.17 173.23 2gdd s ILE 103 N 6.94 0.01 0.25 4.11 2.07 -1.26 -4.06 121.20 129.26 2gdd s ILE 103 Ca 0.59 -0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.66 2gdd s ILE 103 Cb 0.02 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 2gdd s ILE 103 CO 0.09 -0.03 0.49 0.00 -1.91 0.00 0.00 174.94 173.59 2gdd s ALA 104 N -0.58 -0.25 -0.02 1.50 0.00 0.43 -2.73 121.76 120.11 2gdd s ALA 104 Ca -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2gdd s ALA 104 Cb -0.02 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.16 2gdd s ALA 104 CO 0.06 -0.86 -0.11 -0.51 0.00 0.00 0.00 175.76 174.34 2gdd s LEU 105 N -3.02 1.89 -0.18 0.00 1.43 -0.04 -1.45 118.68 117.31 2gdd s LEU 105 Ca 0.22 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2gdd s LEU 105 Cb -0.01 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 2gdd s LEU 105 CO 0.09 0.11 -0.10 -0.76 0.23 0.00 0.00 176.35 175.92 2gdd s LEU 106 N -0.01 2.75 -0.34 1.79 1.43 0.67 -0.78 118.68 124.19 2gdd s LEU 106 Ca -0.00 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 2gdd s LEU 106 Cb -0.07 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2gdd s LEU 106 CO 0.00 0.06 0.24 -0.70 0.23 0.00 0.00 176.35 176.19 2gdd s GLU 107 N 0.98 3.47 0.74 1.70 2.12 -0.31 -0.57 118.70 126.83 2gdd s GLU 107 Ca -0.01 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.53 2gdd s GLU 107 Cb -0.15 -3.81 0.04 0.00 0.26 0.00 0.00 34.13 30.47 2gdd s GLU 107 CO -0.01 -0.46 1.12 -0.51 -0.54 0.00 0.00 175.26 174.86 2gdd s LEU 108 N 1.72 3.18 0.23 2.70 1.43 -0.31 -0.70 118.68 126.93 2gdd s LEU 108 Ca 0.06 1.99 0.26 0.00 -1.03 0.00 0.00 54.13 55.40 2gdd s LEU 108 Cb -0.17 -4.54 0.86 0.00 0.03 0.00 0.00 46.19 42.36 2gdd s LEU 108 CO 0.10 -2.01 1.76 1.21 0.23 0.00 0.00 176.35 177.65 2gdd n GLU 109 N -3.07 0.25 -3.76 1.70 2.13 -1.20 -4.52 120.64 112.17 2gdd n GLU 109 Ca 0.10 0.27 -0.13 0.00 0.66 0.00 0.00 57.16 58.06 2gdd n GLU 109 Cb 0.52 -1.83 -0.10 0.00 0.27 0.00 0.00 31.44 30.31 2gdd n GLU 109 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2gdd s GLU 110 N -3.16 0.51 0.59 5.31 0.41 -1.26 -5.02 118.70 116.08 2gdd s GLU 110 Ca 0.09 0.19 -0.17 0.00 -0.41 0.00 0.00 54.97 54.67 2gdd s GLU 110 Cb 0.12 0.24 -0.03 0.00 -1.78 0.00 0.00 34.13 32.67 2gdd s GLU 110 CO 0.55 -0.10 1.09 -1.25 -0.49 0.00 0.00 175.26 175.06 2gdd s PRO 111 N -0.46 3.19 0.12 0.39 0.04 -1.26 -4.74 135.00 132.28 2gdd s PRO 111 Ca -0.06 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 2gdd s PRO 111 Cb -0.04 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2gdd s PRO 111 CO 0.02 -0.94 0.35 0.14 0.04 0.00 0.00 177.00 176.62 2gdd s VAL 112 N -2.17 5.19 -1.06 -0.36 -7.23 0.24 -4.96 120.40 110.06 2gdd s VAL 112 Ca 0.68 0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 60.65 2gdd s VAL 112 Cb -0.20 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.18 2gdd s VAL 112 CO 0.34 0.08 1.46 -0.54 -0.31 0.00 0.00 175.10 176.13 2gdd s LYS 113 N -2.56 3.66 0.63 4.82 -0.14 -1.26 -4.87 119.74 120.02 2gdd s LYS 113 Ca 0.39 -1.35 -0.18 0.00 -1.36 0.00 0.00 55.97 53.48 2gdd s LYS 113 Cb -0.12 -5.34 -0.05 0.00 -1.68 0.00 0.00 37.83 30.64 2gdd s LYS 113 CO 0.24 -2.16 0.78 1.33 -0.76 0.00 0.00 175.35 174.78 2gdd n VAL 114 N 6.63 3.00 -4.03 3.17 0.24 -1.26 -4.97 118.33 121.10 2gdd n VAL 114 Ca 0.35 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 62.04 2gdd n VAL 114 Cb 0.50 -0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 31.88 2gdd n VAL 114 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2gdd n SER 115 N -0.51 -1.30 0.23 -1.34 3.41 0.65 -4.99 113.62 109.78 2gdd n SER 115 Ca 0.13 -2.79 0.11 0.00 -0.26 0.00 0.00 58.87 56.05 2gdd n SER 115 Cb 0.48 2.42 0.51 0.00 -0.26 0.00 0.00 64.21 67.36 2gdd n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gdd h SER 116 N 1.87 0.00 0.55 4.04 4.64 -2.01 -3.09 113.55 119.55 2gdd h SER 116 Ca -0.26 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.78 2gdd h SER 116 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2gdd h SER 116 CO 0.35 0.20 -1.50 -0.74 -0.87 0.00 0.00 176.83 174.27 2gdd h HIS 117 N 0.00 0.23 -3.20 4.77 -0.00 -1.95 -3.45 115.15 111.56 2gdd h HIS 117 Ca -0.00 -0.17 -0.48 0.00 -0.00 0.00 0.00 60.37 59.72 2gdd h HIS 117 Cb 0.68 -0.01 -0.40 0.00 -0.00 0.00 0.00 27.41 27.68 2gdd h HIS 117 CO 0.00 1.22 -0.76 0.14 -0.00 0.00 0.00 177.93 178.53 2gdd s VAL 118 N -2.63 0.25 0.23 5.26 -7.23 -1.17 -4.37 120.40 110.75 2gdd s VAL 118 Ca -0.07 -0.27 -0.20 0.00 -1.81 0.00 0.00 61.98 59.64 2gdd s VAL 118 Cb 0.08 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 36.30 2gdd s VAL 118 CO 0.83 -0.15 0.63 -1.38 -0.31 0.00 0.00 175.10 174.73 2gdd s HIS 119 N 1.99 -0.19 0.93 2.82 -0.00 -0.84 -0.25 115.29 119.75 2gdd s HIS 119 Ca 0.01 -0.19 -0.11 0.00 -0.00 0.00 0.00 55.06 54.78 2gdd s HIS 119 Cb -0.16 0.56 0.13 0.00 -0.00 0.00 0.00 32.58 33.11 2gdd s HIS 119 CO -0.08 -1.07 0.99 0.25 -0.00 0.00 0.00 174.74 174.84 2gdd n THR 120 N -0.41 0.00 -4.06 -5.38 -2.24 -1.26 -3.02 114.28 97.91 2gdd n THR 120 Ca -0.08 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 2gdd n THR 120 Cb 0.61 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 2gdd n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gdd s VAL 121 N -2.59 4.14 -0.13 2.28 0.11 0.42 -4.81 120.40 119.82 2gdd s VAL 121 Ca 0.65 -1.44 -0.13 0.00 -2.93 0.00 0.00 61.98 58.13 2gdd s VAL 121 Cb -0.23 -3.30 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 2gdd s VAL 121 CO 0.60 -0.31 0.28 -0.89 -3.33 0.00 0.00 175.10 171.45 2gdd s THR 122 N -2.19 5.30 0.44 5.04 2.01 -1.24 -4.64 115.64 120.35 2gdd s THR 122 Ca 0.35 0.53 -0.22 0.00 0.31 0.00 0.00 61.69 62.66 2gdd s THR 122 Cb -0.07 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 2gdd s THR 122 CO 0.25 0.45 1.00 -0.76 -0.69 0.00 0.00 174.62 174.87 2gdd s LEU 123 N 0.02 3.97 0.63 4.42 1.43 -1.26 -1.49 118.68 126.39 2gdd s LEU 123 Ca 0.17 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 2gdd s LEU 123 Cb -0.13 -4.45 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 2gdd s LEU 123 CO 0.05 -0.53 1.02 -2.16 0.23 0.00 0.00 176.35 174.97 2gdd s PRO 124 N -3.00 3.39 0.42 1.29 0.04 -1.26 -4.85 135.00 131.02 2gdd s PRO 124 Ca 0.63 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.05 2gdd s PRO 124 Cb -0.15 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2gdd s PRO 124 CO 0.19 -0.67 1.02 -1.25 0.04 0.00 0.00 177.00 176.33 2gdd s PRO 125 N -5.19 4.10 0.50 0.56 0.04 -1.26 -4.88 135.00 128.87 2gdd s PRO 125 Ca 0.55 1.39 0.15 0.00 0.04 0.00 0.00 61.00 63.13 2gdd s PRO 125 Cb -0.11 -2.38 0.79 0.00 0.04 0.00 0.00 34.50 32.85 2gdd s PRO 125 CO 0.52 -0.17 1.38 0.00 0.04 0.00 0.00 177.00 178.77 2gdd h ALA 126 N 2.19 1.42 0.12 8.56 0.00 -1.96 0.15 119.26 129.75 2gdd h ALA 126 Ca -0.49 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 2gdd h ALA 126 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2gdd h ALA 126 CO 0.61 -0.42 -1.79 0.77 0.00 0.00 0.00 179.25 178.42 2gdd h SER 127 N 0.00 0.39 -1.47 0.00 0.02 -1.95 -3.48 113.55 107.06 2gdd h SER 127 Ca 0.00 -0.72 -0.69 0.00 -0.84 0.00 0.00 61.79 59.55 2gdd h SER 127 Cb 0.99 -0.13 0.08 0.00 0.14 0.00 0.00 62.40 63.48 2gdd h SER 127 CO 0.00 1.62 -0.01 1.21 -1.14 0.00 0.00 176.83 178.51 2gdd n GLU 128 N -3.44 0.56 -0.01 3.45 4.07 0.54 -4.91 120.64 120.90 2gdd n GLU 128 Ca -0.24 0.20 -0.01 0.00 -0.06 0.00 0.00 57.16 57.05 2gdd n GLU 128 Cb 1.05 -1.55 -0.02 0.00 -0.06 0.00 0.00 31.44 30.86 2gdd n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2gdd n THR 129 N 1.02 0.17 -2.63 6.31 -2.24 -1.26 -4.92 114.28 110.72 2gdd n THR 129 Ca 0.17 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 2gdd n THR 129 Cb 0.21 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2gdd n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2gdd n PHE 130 N -2.02 -3.54 -1.94 4.78 3.72 -1.26 -4.95 117.46 112.25 2gdd n PHE 130 Ca -0.04 1.54 -0.37 0.00 -0.05 0.00 0.00 57.45 58.53 2gdd n PHE 130 Cb 0.51 -3.81 0.03 0.00 -0.94 0.00 0.00 39.48 35.27 2gdd n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2gdd s PRO 131 N -1.71 3.11 0.25 -1.08 0.04 -1.26 -4.95 135.00 129.39 2gdd s PRO 131 Ca 0.05 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 2gdd s PRO 131 Cb -0.01 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 2gdd s PRO 131 CO 0.71 -1.14 1.64 -2.30 0.04 0.00 0.00 177.00 175.94 2gdd n PRO 132 N -1.25 2.67 -1.50 0.56 -0.02 -1.26 -2.66 135.00 131.54 2gdd n PRO 132 Ca 0.12 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2gdd n PRO 132 Cb 0.48 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 2gdd n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gdd n GLY 133 N 2.96 0.97 3.85 -1.23 0.00 -0.40 -4.96 105.19 106.38 2gdd n GLY 133 Ca 0.12 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2gdd n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gdd s MET 134 N -3.12 3.58 -0.45 1.61 1.75 -1.09 -4.89 119.30 116.70 2gdd s MET 134 Ca 0.00 -0.15 -0.28 0.00 -1.25 0.00 0.00 55.69 54.01 2gdd s MET 134 Cb 0.00 -3.23 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 2gdd s MET 134 CO 0.00 0.69 1.63 -1.25 -0.65 0.00 0.00 175.02 175.44 2gdd s PRO 135 N -0.77 3.26 0.10 4.11 0.04 -1.26 -3.49 135.00 136.99 2gdd s PRO 135 Ca 0.14 0.96 0.05 0.00 0.04 0.00 0.00 61.00 62.18 2gdd s PRO 135 Cb -0.12 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2gdd s PRO 135 CO 0.03 -1.96 -0.12 0.00 0.04 0.00 0.00 177.00 174.99 2gdd s TRP 137 N -2.10 1.64 0.07 0.00 0.52 0.41 -0.10 118.94 119.39 2gdd s TRP 137 Ca 0.05 -0.34 0.09 0.00 0.02 0.00 0.00 56.10 55.92 2gdd s TRP 137 Cb -0.05 -1.01 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 2gdd s TRP 137 CO 0.02 0.03 -0.24 0.54 0.02 0.00 0.00 176.95 177.32 2gdd s VAL 138 N -0.64 1.94 0.05 4.03 0.11 -0.86 -0.85 120.40 124.18 2gdd s VAL 138 Ca 0.06 -1.44 0.01 0.00 -2.93 0.00 0.00 61.98 57.68 2gdd s VAL 138 Cb -0.08 -1.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 2gdd s VAL 138 CO 0.01 0.17 -0.05 0.42 -3.33 0.00 0.00 175.10 172.32 2gdd s THR 139 N -0.93 0.38 -3.83 5.04 -4.23 -1.21 -2.14 115.64 108.73 2gdd s THR 139 Ca 0.10 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2gdd s THR 139 Cb -0.10 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2gdd s THR 139 CO 0.03 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 2gdd n GLY 140 N 0.76 -2.25 0.92 3.99 0.00 -0.60 -4.48 105.19 103.52 2gdd n GLY 140 Ca -0.18 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.69 2gdd n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2gdd n TRP 141 N 0.98 0.69 -0.56 1.61 8.01 -1.26 -1.45 117.44 125.46 2gdd n TRP 141 Ca 0.00 -0.52 -0.30 0.00 -1.31 0.00 0.00 57.50 55.38 2gdd n TRP 141 Cb 0.00 -0.04 0.27 0.00 -2.01 0.00 0.00 31.31 29.53 2gdd n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2gdd s GLY 142 N -1.03 1.48 0.38 6.99 0.00 -1.25 -4.58 107.32 109.31 2gdd s GLY 142 Ca 0.33 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 44.18 2gdd s GLY 142 CO 0.22 0.27 0.84 1.22 0.00 0.00 0.00 173.10 175.65 2gdd n ASP 143 N -5.25 0.49 -0.22 1.64 9.92 0.14 -2.09 116.55 121.17 2gdd n ASP 143 Ca 0.09 1.03 0.15 0.00 -0.53 0.00 0.00 54.79 55.53 2gdd n ASP 143 Cb 0.58 -1.25 0.69 0.00 -0.64 0.00 0.00 41.12 40.51 2gdd n ASP 143 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2gdd n VAL 144 N -0.43 0.00 0.00 2.53 0.24 -0.06 0.61 118.33 121.23 2gdd n VAL 144 Ca 0.11 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2gdd n VAL 144 Cb 0.37 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2gdd n VAL 144 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2gdd n ASP 145 N -0.51 0.00 -4.58 -1.34 4.64 -1.21 -4.32 116.55 109.23 2gdd n ASP 145 Ca 0.20 0.00 -0.55 0.00 -1.38 0.00 0.00 54.79 53.06 2gdd n ASP 145 Cb 0.25 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.26 2gdd n ASP 145 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2gdd n ASN 146 N 0.00 2.24 -2.14 1.67 3.02 -1.26 -0.05 115.26 118.73 2gdd n ASN 146 Ca 0.00 0.81 -0.18 0.00 -0.03 0.00 0.00 54.58 55.17 2gdd n ASN 146 Cb 0.00 -1.18 -0.00 0.00 -0.61 0.00 0.00 39.78 37.99 2gdd n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2gdd n ASP 147 N 7.20 -5.28 -3.74 6.41 10.43 -1.26 -4.97 116.55 125.34 2gdd n ASP 147 Ca 0.34 -0.06 -0.30 0.00 2.57 0.00 0.00 54.79 57.35 2gdd n ASP 147 Cb 0.16 -4.31 -0.14 0.00 1.84 0.00 0.00 41.12 38.66 2gdd n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2gdd s GLU 149 N -5.00 0.92 0.88 -1.24 2.12 0.93 -5.10 118.70 112.20 2gdd s GLU 149 Ca 0.04 -1.40 -0.13 0.00 0.36 0.00 0.00 54.97 53.84 2gdd s GLU 149 Cb -0.02 -2.14 0.05 0.00 0.26 0.00 0.00 34.13 32.28 2gdd s GLU 149 CO 0.05 -1.04 0.69 0.54 -0.54 0.00 0.00 175.26 174.97 2gdd n ARG 150 N 4.41 -0.13 -0.05 4.30 3.00 -1.26 -0.88 116.66 126.05 2gdd n ARG 150 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 2gdd n ARG 150 Cb 0.40 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.81 2gdd n ARG 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2gdd n LEU 151 N -1.98 0.00 -0.50 0.55 7.94 -1.26 -4.34 117.00 117.42 2gdd n LEU 151 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2gdd n LEU 151 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2gdd n LEU 151 CO 0.50 -0.25 0.00 -0.81 -1.11 0.00 0.00 177.39 175.72 2gdd n PRO 152 N -0.50 0.00 -3.32 1.96 -0.04 -1.26 -5.02 135.00 126.82 2gdd n PRO 152 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2gdd n PRO 152 Cb 0.00 -0.35 0.05 0.00 -0.04 0.00 0.00 33.50 33.16 2gdd n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2gdd n PHE 153 N 0.07 -2.44 -2.66 0.54 3.72 -1.26 -3.98 117.46 111.45 2gdd n PHE 153 Ca 0.00 0.83 -0.34 0.00 -0.05 0.00 0.00 57.45 57.88 2gdd n PHE 153 Cb 0.00 -3.95 -0.05 0.00 -0.94 0.00 0.00 39.48 34.54 2gdd n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2gdd s PRO 154 N -4.47 4.09 0.08 -1.08 0.04 -1.26 -1.20 135.00 131.18 2gdd s PRO 154 Ca 0.37 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 2gdd s PRO 154 Cb -0.07 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 2gdd s PRO 154 CO 0.77 -0.18 1.30 -1.17 0.04 0.00 0.00 177.00 177.77 2gdd s LEU 155 N -3.09 4.36 0.31 -3.56 2.96 -0.55 -4.77 118.68 114.34 2gdd s LEU 155 Ca 0.62 2.16 0.07 0.00 -0.22 0.00 0.00 54.13 56.76 2gdd s LEU 155 Cb -0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 2gdd s LEU 155 CO 0.19 -0.58 0.24 -0.54 -1.32 0.00 0.00 176.35 174.35 2gdd s LYS 156 N 1.23 2.74 0.05 1.98 1.02 -0.53 -0.68 119.74 125.56 2gdd s LYS 156 Ca 0.62 -1.25 -0.06 0.00 0.02 0.00 0.00 55.97 55.30 2gdd s LYS 156 Cb -0.33 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 2gdd s LYS 156 CO 0.29 0.19 0.10 1.14 -0.92 0.00 0.00 175.35 176.16 2gdd s GLN 157 N -3.93 0.66 -0.25 1.68 -2.07 -0.31 -1.56 119.66 113.88 2gdd s GLN 157 Ca 0.38 -0.87 -0.21 0.00 -1.82 0.00 0.00 55.36 52.84 2gdd s GLN 157 Cb -0.06 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.18 2gdd s GLN 157 CO 0.26 -0.17 0.65 0.54 -1.32 0.00 0.00 175.29 175.25 2gdd s VAL 158 N -3.11 -0.00 -0.22 3.63 0.11 -0.91 -1.71 120.40 118.19 2gdd s VAL 158 Ca -0.01 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 2gdd s VAL 158 Cb 0.02 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2gdd s VAL 158 CO -0.07 0.00 0.78 -0.75 -3.33 0.00 0.00 175.10 171.73 2gdd s LYS 159 N 0.69 4.20 -0.02 1.54 2.20 -1.26 -2.02 119.74 125.07 2gdd s LYS 159 Ca -0.03 0.86 0.06 0.00 -0.36 0.00 0.00 55.97 56.50 2gdd s LYS 159 Cb -0.05 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2gdd s LYS 159 CO -0.04 -0.43 -0.18 0.14 -0.36 0.00 0.00 175.35 174.47 2gdd s VAL 160 N 2.54 1.42 0.04 4.02 -7.23 0.86 -4.93 120.40 117.12 2gdd s VAL 160 Ca 0.34 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 2gdd s VAL 160 Cb -0.16 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2gdd s VAL 160 CO 0.09 0.40 0.92 -2.16 -0.31 0.00 0.00 175.10 174.04 2gdd s PRO 161 N -0.41 4.60 0.39 4.82 0.04 -1.26 -3.10 135.00 140.08 2gdd s PRO 161 Ca 0.07 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 2gdd s PRO 161 Cb -0.07 -3.41 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 2gdd s PRO 161 CO -0.01 0.10 1.19 0.42 0.04 0.00 0.00 177.00 178.75 2gdd s ILE 162 N 0.47 3.08 0.01 0.56 -1.09 -1.23 -2.00 121.20 121.00 2gdd s ILE 162 Ca 0.47 0.94 0.08 0.00 -2.23 0.00 0.00 60.65 59.91 2gdd s ILE 162 Cb -0.22 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2gdd s ILE 162 CO 0.27 0.11 -0.25 -0.04 -1.23 0.00 0.00 174.94 173.80 2gdd s MET 163 N -2.20 2.01 0.34 2.79 -1.94 0.33 -1.27 119.30 119.36 2gdd s MET 163 Ca 0.56 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 53.26 2gdd s MET 163 Cb -0.32 -2.04 -0.11 0.00 2.01 0.00 0.00 34.83 34.37 2gdd s MET 163 CO 0.41 0.54 1.39 -2.00 -0.01 0.00 0.00 175.02 175.35 2gdd s GLU 164 N -0.89 4.25 0.23 2.03 2.12 -1.26 -4.26 118.70 120.92 2gdd s GLU 164 Ca 0.11 2.36 -0.08 0.00 0.36 0.00 0.00 54.97 57.73 2gdd s GLU 164 Cb -0.10 -3.03 0.39 0.00 0.26 0.00 0.00 34.13 31.64 2gdd s GLU 164 CO 0.01 -0.34 1.67 -0.91 -0.54 0.00 0.00 175.26 175.14 2gdd h ASN 165 N 3.40 -0.16 -0.28 -1.70 4.21 -1.93 -0.87 115.58 118.25 2gdd h ASN 165 Ca -0.49 0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.19 2gdd h ASN 165 Cb 1.23 0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.66 2gdd h ASN 165 CO 0.66 -0.09 0.15 -0.74 -1.29 0.00 0.00 177.43 176.12 2gdd h HIS 166 N 0.18 0.28 -0.53 1.19 2.76 -1.93 -0.79 115.15 116.31 2gdd h HIS 166 Ca 0.38 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2gdd h HIS 166 Cb 0.63 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 2gdd h HIS 166 CO -0.33 0.16 0.33 0.82 -1.30 0.00 0.00 177.93 177.61 2gdd h ILE 167 N 0.31 1.15 0.07 6.26 1.08 -1.63 0.62 117.51 125.37 2gdd h ILE 167 Ca 0.11 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2gdd h ILE 167 Cb 0.02 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 2gdd h ILE 167 CO -0.07 0.15 -0.03 0.00 -0.69 0.00 0.00 178.15 177.51 2gdd h ASP 169 N -0.55 0.32 -0.47 0.00 3.58 -0.93 -0.10 116.42 118.27 2gdd h ASP 169 Ca -0.01 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2gdd h ASP 169 Cb 0.47 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2gdd h ASP 169 CO 0.02 0.15 0.29 0.00 -2.88 0.00 0.00 179.24 176.81 2gdd h ALA 170 N 1.50 0.59 -0.42 -0.78 0.00 -0.73 -2.69 119.26 116.73 2gdd h ALA 170 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2gdd h ALA 170 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gdd h ALA 170 CO -0.36 0.07 0.28 0.87 0.00 0.00 0.00 179.25 180.11 2gdd h LYS 171 N 0.62 0.56 0.00 0.00 1.57 0.48 -1.80 116.57 118.00 2gdd h LYS 171 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2gdd h LYS 171 Cb -0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2gdd h LYS 171 CO -0.03 0.38 0.00 0.66 -0.57 0.00 0.00 179.45 179.89 2gdd n TYR 172 N -4.78 0.00 0.36 -1.35 4.02 -0.21 -0.95 117.16 114.25 2gdd n TYR 172 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 2gdd n TYR 172 Cb 0.03 -0.43 -0.06 0.00 -0.02 0.00 0.00 39.34 38.86 2gdd n TYR 172 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2gdd n HIS 173 N -1.43 0.26 -2.26 -0.72 8.25 -0.69 -4.70 115.22 113.92 2gdd n HIS 173 Ca 0.01 0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 2gdd n HIS 173 Cb 0.05 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 2gdd n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2gdd s LEU 173 N -4.23 4.07 0.00 2.41 1.43 -0.12 -2.31 118.68 119.92 2gdd s LEU 173 Ca -0.00 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 2gdd s LEU 173 Cb 0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2gdd s LEU 173 CO 0.84 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2gdd n GLY 173 N 4.13 0.57 3.05 -3.19 0.00 -1.26 -5.03 105.19 103.46 2gdd n GLY 173 Ca 0.16 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 2gdd n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdd s ALA 173 N -2.00 0.23 -0.39 4.61 0.00 -0.98 -5.05 121.76 118.19 2gdd s ALA 173 Ca 0.00 -0.82 0.22 0.00 0.00 0.00 0.00 51.96 51.37 2gdd s ALA 173 Cb 0.00 0.21 0.26 0.00 0.00 0.00 0.00 23.12 23.59 2gdd s ALA 173 CO 0.00 -0.27 1.49 1.88 0.00 0.00 0.00 175.76 178.86 2gdd h TYR 173 N 3.90 0.00 -2.15 0.00 0.05 -1.95 -3.47 116.97 113.35 2gdd h TYR 173 Ca -0.33 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.85 2gdd h TYR 173 Cb 1.18 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.97 2gdd h TYR 173 CO 0.59 0.03 0.78 2.41 -1.05 0.00 0.00 178.16 180.92 2gdd n THR 173 N -3.03 0.07 0.00 -2.88 -1.04 -1.26 -5.17 114.28 100.98 2gdd n THR 173 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2gdd n THR 173 Cb 0.55 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 2gdd n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gdd n GLY 173 N 3.41 -2.92 0.00 3.41 0.00 -1.26 -4.91 105.19 102.93 2gdd n GLY 173 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2gdd n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gdd n ASP 173 N 0.00 0.00 -4.66 1.61 8.00 -1.26 -4.73 116.55 115.52 2gdd n ASP 173 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 2gdd n ASP 173 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2gdd n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gdd s VAL 173 N 0.00 5.08 -0.08 2.53 1.01 -1.26 -5.02 120.40 122.65 2gdd s VAL 173 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2gdd s VAL 173 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2gdd s VAL 173 CO 0.00 0.15 1.29 -0.60 0.00 0.00 0.00 175.10 175.94 2gdd s ARG 174 N 1.76 4.28 -0.21 2.72 6.06 -1.26 -4.92 118.95 127.38 2gdd s ARG 174 Ca 0.25 1.76 -0.12 0.00 -2.50 0.00 0.00 55.73 55.13 2gdd s ARG 174 Cb -0.16 -3.66 -0.09 0.00 0.06 0.00 0.00 34.95 31.10 2gdd s ARG 174 CO 0.10 -0.59 -0.29 -0.89 -2.50 0.00 0.00 175.30 171.13 2gdd n ILE 175 N 4.95 1.28 -3.16 4.11 5.41 -1.26 -4.80 119.36 125.89 2gdd n ILE 175 Ca 0.13 -0.22 -0.43 0.00 1.00 0.00 0.00 62.75 63.23 2gdd n ILE 175 Cb 0.45 -1.88 -0.07 0.00 -0.71 0.00 0.00 39.64 37.43 2gdd n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2gdd s VAL 176 N -2.47 4.89 0.80 1.39 1.01 -1.26 -5.00 120.40 119.75 2gdd s VAL 176 Ca -0.30 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2gdd s VAL 176 Cb 0.10 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.42 2gdd s VAL 176 CO 0.39 -0.57 1.13 -0.13 0.00 0.00 0.00 175.10 175.92 2gdd s ARG 177 N 2.66 1.67 0.48 2.72 0.52 -1.26 -4.75 118.95 120.98 2gdd s ARG 177 Ca 0.20 -0.33 0.25 0.00 -0.52 0.00 0.00 55.73 55.33 2gdd s ARG 177 Cb -0.15 -2.06 1.17 0.00 0.52 0.00 0.00 34.95 34.43 2gdd s ARG 177 CO 0.17 -1.65 1.94 -0.44 0.02 0.00 0.00 175.30 175.35 2gdd h ASP 178 N -0.96 0.00 -0.22 0.23 3.32 -1.98 -2.34 116.42 114.47 2gdd h ASP 178 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2gdd h ASP 178 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2gdd h ASP 178 CO 0.53 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 2gdd n ASP 179 N -3.52 1.37 -4.71 6.45 5.75 -1.26 -4.85 116.55 115.79 2gdd n ASP 179 Ca -0.01 -1.87 -0.23 0.00 -0.01 0.00 0.00 54.79 52.67 2gdd n ASP 179 Cb 0.34 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 2gdd n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2gdd s MET 180 N -1.71 2.43 0.04 0.11 -1.94 -0.88 -0.96 119.30 116.39 2gdd s MET 180 Ca 0.23 -1.40 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 2gdd s MET 180 Cb 0.12 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 2gdd s MET 180 CO 0.17 0.28 0.00 -1.17 -0.01 0.00 0.00 175.02 174.29 2gdd s LEU 181 N -3.76 2.28 0.01 -0.03 0.20 0.11 -4.58 118.68 112.91 2gdd s LEU 181 Ca 0.34 -0.81 -0.05 0.00 0.69 0.00 0.00 54.13 54.30 2gdd s LEU 181 Cb -0.05 0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.99 2gdd s LEU 181 CO 0.22 -0.53 0.07 0.00 -0.29 0.00 0.00 176.35 175.82 2gdd s ALA 183 N -1.54 -1.13 0.00 0.00 0.00 -0.48 -0.51 121.76 118.10 2gdd s ALA 183 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2gdd s ALA 183 Cb -0.08 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2gdd s ALA 183 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2gdd n GLY 184 N -0.35 1.56 0.00 0.00 0.00 -0.85 -1.27 105.19 104.28 2gdd n GLY 184 Ca -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2gdd n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gdd n ASN 185 N 0.00 0.00 0.00 1.61 2.04 0.03 -4.78 115.26 114.16 2gdd n ASN 185 Ca 0.00 -0.91 0.08 0.00 -0.44 0.00 0.00 54.58 53.31 2gdd n ASN 185 Cb 0.00 0.00 0.42 0.00 -2.53 0.00 0.00 39.78 37.67 2gdd n ASN 185 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2gdd n THR 186 N 0.00 0.40 -0.02 5.53 -2.24 -1.26 -3.15 114.28 113.54 2gdd n THR 186 Ca 0.00 0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2gdd n THR 186 Cb 0.00 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.36 2gdd n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gdd n ARG 187 N -1.21 3.13 -4.97 -0.78 1.74 -1.26 -4.79 116.66 108.53 2gdd n ARG 187 Ca 0.09 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 2gdd n ARG 187 Cb 0.11 -1.11 -0.16 0.00 -1.02 0.00 0.00 32.46 30.28 2gdd n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gdd s ARG 188 N -2.10 2.15 0.00 5.56 0.52 -1.19 -3.46 118.95 120.44 2gdd s ARG 188 Ca -0.02 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 2gdd s ARG 188 Cb 0.01 -1.80 0.11 0.00 0.52 0.00 0.00 34.95 33.80 2gdd s ARG 188 CO 0.17 0.24 1.26 0.34 0.02 0.00 0.00 175.30 177.32 2gdd s ASP 189 N 0.11 -0.05 0.22 0.23 -1.08 -1.05 -0.79 116.67 114.26 2gdd s ASP 189 Ca -0.07 -0.19 0.05 0.00 -0.52 0.00 0.00 52.55 51.81 2gdd s ASP 189 Cb -0.14 0.19 -0.03 0.00 -1.46 0.00 0.00 42.92 41.49 2gdd s ASP 189 CO 0.04 -0.36 0.34 -0.94 0.52 0.00 0.00 175.17 174.77 2gdd s SER 190 N -3.14 6.31 0.27 -0.34 1.04 -1.26 -1.10 113.70 115.49 2gdd s SER 190 Ca 0.17 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.73 2gdd s SER 190 Cb 0.03 -1.86 -0.02 0.00 0.10 0.00 0.00 66.02 64.27 2gdd s SER 190 CO -0.03 -0.05 0.27 0.00 0.98 0.00 0.00 173.24 174.41 2gdd n GLN 192 N -0.50 1.69 0.00 0.00 3.00 -1.26 -0.73 117.38 119.58 2gdd n GLN 192 Ca 0.05 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 2gdd n GLN 192 Cb 0.48 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 28.39 2gdd n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gdd n GLY 193 N 3.28 2.78 0.03 1.08 0.00 -1.26 0.24 105.19 111.35 2gdd n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2gdd n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gdd n ASP 194 N 0.00 0.62 -4.39 1.61 8.00 0.10 -3.83 116.55 118.66 2gdd n ASP 194 Ca 0.00 -0.14 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 2gdd n ASP 194 Cb 0.00 0.44 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 2gdd n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2gdd n SER 195 N -1.86 -1.84 0.00 -2.24 7.64 -1.26 -0.51 113.62 113.55 2gdd n SER 195 Ca 0.03 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.73 2gdd n SER 195 Cb 0.40 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2gdd n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gdd n GLY 196 N 2.03 2.85 3.49 0.23 0.00 -0.40 0.47 105.19 113.86 2gdd n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2gdd n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdd n GLY 197 N -1.87 -1.81 3.89 -0.02 0.00 0.33 -3.57 105.19 102.14 2gdd n GLY 197 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2gdd n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gdd s PRO 198 N -4.42 3.64 -0.30 1.61 0.04 -1.26 -1.18 135.00 133.14 2gdd s PRO 198 Ca 0.68 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.70 2gdd s PRO 198 Cb -0.25 -2.84 0.09 0.00 0.04 0.00 0.00 34.50 31.53 2gdd s PRO 198 CO 0.64 0.46 0.03 -1.17 0.04 0.00 0.00 177.00 177.00 2gdd s LEU 199 N -2.61 3.32 0.04 -3.56 2.96 -0.62 -3.28 118.68 114.93 2gdd s LEU 199 Ca 0.41 -1.68 0.04 0.00 -0.22 0.00 0.00 54.13 52.68 2gdd s LEU 199 Cb -0.12 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2gdd s LEU 199 CO 0.24 -0.34 -0.03 0.68 -1.32 0.00 0.00 176.35 175.57 2gdd s VAL 200 N 1.27 3.84 0.06 1.68 -7.23 -0.03 -0.53 120.40 119.46 2gdd s VAL 200 Ca 0.05 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2gdd s VAL 200 Cb -0.18 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2gdd s VAL 200 CO -0.12 0.27 -0.15 0.00 -0.31 0.00 0.00 175.10 174.78 2gdd s LYS 202 N -1.57 3.21 -0.09 0.00 2.20 -1.25 -0.95 119.74 121.30 2gdd s LYS 202 Ca 0.00 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 2gdd s LYS 202 Cb -0.09 -3.94 -0.00 0.00 -1.51 0.00 0.00 37.83 32.29 2gdd s LYS 202 CO 0.02 -0.83 -0.24 0.08 -0.36 0.00 0.00 175.35 174.03 2gdd s VAL 203 N 2.26 2.12 -1.18 4.02 1.01 0.60 -4.61 120.40 124.62 2gdd s VAL 203 Ca 0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2gdd s VAL 203 Cb -0.16 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2gdd s VAL 203 CO 0.14 0.56 0.26 0.59 0.00 0.00 0.00 175.10 176.65 2gdd n ASN 204 N 3.32 -3.98 -1.68 3.32 5.03 -1.26 -0.47 115.26 119.54 2gdd n ASN 204 Ca -0.18 -0.08 -0.10 0.00 0.87 0.00 0.00 54.58 55.08 2gdd n ASN 204 Cb 0.53 -3.33 0.03 0.00 -1.02 0.00 0.00 39.78 35.98 2gdd n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gdd n GLY 205 N -1.02 0.21 3.35 7.41 0.00 -1.26 -5.04 105.19 108.84 2gdd n GLY 205 Ca -0.09 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 2gdd n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gdd s THR 206 N -2.97 -0.02 -0.17 2.61 -4.23 0.38 -5.13 115.64 106.11 2gdd s THR 206 Ca 0.20 0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.48 2gdd s THR 206 Cb -0.09 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 2gdd s THR 206 CO 0.24 0.03 1.20 0.26 -0.54 0.00 0.00 174.62 175.81 2gdd s TRP 207 N 1.29 3.01 -0.01 3.99 0.52 -1.26 -0.29 118.94 126.19 2gdd s TRP 207 Ca -0.08 1.15 0.07 0.00 0.02 0.00 0.00 56.10 57.25 2gdd s TRP 207 Cb -0.07 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.80 2gdd s TRP 207 CO -0.12 -1.35 -0.22 -0.51 0.02 0.00 0.00 176.95 174.77 2gdd s LEU 208 N 3.30 2.05 -0.56 2.99 1.43 -0.12 -3.63 118.68 124.13 2gdd s LEU 208 Ca 0.52 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.96 2gdd s LEU 208 Cb -0.20 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 44.94 2gdd s LEU 208 CO 0.13 0.26 1.04 -1.58 0.23 0.00 0.00 176.35 176.43 2gdd s GLN 209 N -0.56 3.40 0.09 1.70 0.74 -0.56 -1.16 119.66 123.30 2gdd s GLN 209 Ca 0.08 -0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.44 2gdd s GLN 209 Cb -0.08 -4.04 -0.24 0.00 1.10 0.00 0.00 33.01 29.74 2gdd s GLN 209 CO -0.01 -1.57 1.17 0.00 -0.55 0.00 0.00 175.29 174.34 2gdd h ALA 210 N 9.41 0.28 -2.77 1.58 0.00 -1.16 -3.39 119.26 123.20 2gdd h ALA 210 Ca -0.26 -0.95 -0.14 0.00 0.00 0.00 0.00 54.91 53.57 2gdd h ALA 210 Cb 1.07 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 2gdd h ALA 210 CO 1.13 1.16 -0.29 0.20 0.00 0.00 0.00 179.25 181.45 2gdd s GLY 211 N -4.73 0.94 -0.10 0.00 0.00 -0.94 -1.61 107.32 100.88 2gdd s GLY 211 Ca -0.02 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.52 2gdd s GLY 211 CO 0.84 -0.92 -0.19 0.14 0.00 0.00 0.00 173.10 172.97 2gdd s VAL 212 N -3.95 1.74 -0.02 1.40 1.01 -0.94 -1.59 120.40 118.05 2gdd s VAL 212 Ca 0.29 -0.82 -0.33 0.00 0.00 0.00 0.00 61.98 61.11 2gdd s VAL 212 Cb 0.02 -1.53 -0.12 0.00 0.00 0.00 0.00 36.38 34.75 2gdd s VAL 212 CO 0.11 0.49 1.86 0.52 0.00 0.00 0.00 175.10 178.08 2gdd n VAL 213 N 3.75 0.52 0.00 2.92 0.31 -0.33 -0.52 118.33 124.99 2gdd n VAL 213 Ca -0.20 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2gdd n VAL 213 Cb 0.52 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2gdd n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2gdd n SER 214 N 6.31 0.00 -1.79 4.52 2.88 -0.91 -1.28 113.62 123.36 2gdd n SER 214 Ca 0.21 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.70 2gdd n SER 214 Cb 0.32 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2gdd n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2gdd n TRP 215 N -2.30 -1.23 0.00 0.66 4.27 -1.01 -4.92 117.44 112.91 2gdd n TRP 215 Ca 0.00 -0.88 0.00 0.00 -3.89 0.00 0.00 57.50 52.73 2gdd n TRP 215 Cb 0.00 0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 2gdd n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2gdd n GLY 216 N -0.23 1.72 3.42 -1.67 0.00 -1.26 -0.41 105.19 106.75 2gdd n GLY 216 Ca -0.02 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 2gdd n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gdd s GLU 217 N -2.00 3.09 2.46 1.61 2.12 -1.26 -4.90 118.70 119.82 2gdd s GLU 217 Ca 0.00 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.30 2gdd s GLU 217 Cb 0.00 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.17 2gdd s GLU 217 CO 0.00 -1.59 0.00 0.41 -0.54 0.00 0.00 175.26 173.54 2gdd n GLY 219 N 5.27 -0.16 3.07 -1.50 0.00 -1.26 -4.51 105.19 106.10 2gdd n GLY 219 Ca -0.06 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2gdd n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdd n ALA 221 N 3.42 -1.11 -2.53 0.00 0.00 -1.26 -4.70 120.51 114.33 2gdd n ALA 221 Ca -0.20 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 2gdd n ALA 221 Cb 0.53 -3.68 -0.05 0.00 0.00 0.00 0.00 19.45 16.24 2gdd n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gdd s GLN 221 N -6.12 3.76 0.17 0.00 -1.52 -1.26 -4.33 119.66 110.37 2gdd s GLN 221 Ca 0.46 0.17 -0.33 0.00 -1.95 0.00 0.00 55.36 53.70 2gdd s GLN 221 Cb -0.23 -2.84 -0.13 0.00 -0.22 0.00 0.00 33.01 29.59 2gdd s GLN 221 CO 0.57 0.45 1.61 -0.35 -0.25 0.00 0.00 175.29 177.32 2gdd n PRO 222 N 0.34 2.31 -2.20 2.91 -0.04 -1.26 -1.65 135.00 135.40 2gdd n PRO 222 Ca -0.03 0.83 -0.20 0.00 -0.04 0.00 0.00 63.50 64.06 2gdd n PRO 222 Cb 0.52 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 2gdd n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gdd n ASN 223 N 3.56 -5.57 -3.18 3.54 3.02 -1.26 -4.90 115.26 110.47 2gdd n ASN 223 Ca 0.17 0.13 -0.20 0.00 -0.03 0.00 0.00 54.58 54.65 2gdd n ASN 223 Cb 0.30 -4.72 -0.04 0.00 -0.61 0.00 0.00 39.78 34.72 2gdd n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2gdd n ARG 224 N -2.82 0.88 -0.81 3.52 5.12 -0.66 -3.65 116.66 118.24 2gdd n ARG 224 Ca -0.23 -3.28 -0.31 0.00 -1.93 0.00 0.00 57.85 52.10 2gdd n ARG 224 Cb 0.67 -1.52 0.15 0.00 -1.16 0.00 0.00 32.46 30.60 2gdd n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2gdd s PRO 225 N -1.92 1.25 0.26 5.56 0.04 -1.26 -4.21 135.00 134.71 2gdd s PRO 225 Ca 0.38 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 2gdd s PRO 225 Cb 0.29 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.98 2gdd s PRO 225 CO -0.09 -2.45 1.24 0.20 0.04 0.00 0.00 177.00 175.94 2gdd s GLY 226 N -2.76 2.80 -0.10 0.56 0.00 -0.40 -4.67 107.32 102.74 2gdd s GLY 226 Ca 0.66 1.08 -0.05 0.00 0.00 0.00 0.00 44.72 46.41 2gdd s GLY 226 CO 0.57 1.86 0.10 -0.42 0.00 0.00 0.00 173.10 175.21 2gdd s ILE 227 N -0.59 5.15 0.08 0.90 -1.09 0.45 -1.38 121.20 124.72 2gdd s ILE 227 Ca 0.51 0.04 0.04 0.00 -2.23 0.00 0.00 60.65 59.00 2gdd s ILE 227 Cb -0.36 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2gdd s ILE 227 CO 0.43 0.58 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.31 2gdd s TYR 228 N -1.02 1.02 -0.22 3.97 1.51 0.21 -2.14 117.35 120.68 2gdd s TYR 228 Ca 0.16 -0.57 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 2gdd s TYR 228 Cb -0.12 -0.57 -0.00 0.00 -0.11 0.00 0.00 41.96 41.16 2gdd s TYR 228 CO 0.05 -0.00 1.21 0.99 -1.11 0.00 0.00 175.55 176.68 2gdd s THR 229 N -1.92 4.36 -0.07 -0.71 2.01 0.33 0.10 115.64 119.73 2gdd s THR 229 Ca 0.00 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 2gdd s THR 229 Cb -0.06 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2gdd s THR 229 CO 0.01 -0.24 1.79 -0.60 -0.69 0.00 0.00 174.62 174.89 2gdd s ARG 230 N 3.58 4.01 0.04 4.92 3.52 -0.14 -2.22 118.95 132.67 2gdd s ARG 230 Ca 0.52 2.21 -0.22 0.00 -0.13 0.00 0.00 55.73 58.11 2gdd s ARG 230 Cb -0.18 -4.08 -0.14 0.00 -1.56 0.00 0.00 34.95 28.98 2gdd s ARG 230 CO 0.14 -1.07 1.41 0.28 -0.81 0.00 0.00 175.30 175.26 2gdd h VAL 231 N 5.83 1.30 -0.89 7.11 2.07 -1.59 -3.08 116.25 126.99 2gdd h VAL 231 Ca -0.42 -1.00 0.26 0.00 0.82 0.00 0.00 66.70 66.37 2gdd h VAL 231 Cb 1.20 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2gdd h VAL 231 CO 0.96 0.29 0.72 0.71 0.02 0.00 0.00 177.57 180.26 2gdd h THR 232 N -0.10 0.41 0.00 2.57 1.35 -1.87 0.17 112.91 115.45 2gdd h THR 232 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.85 2gdd h THR 232 Cb 0.46 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 2gdd h THR 232 CO 0.01 0.00 -0.18 0.22 -0.25 0.00 0.00 175.52 175.32 2gdd h TYR 233 N 0.00 0.00 -0.04 4.73 5.03 -1.90 -3.19 116.97 121.60 2gdd h TYR 233 Ca 0.42 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.73 2gdd h TYR 233 Cb 1.85 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.13 2gdd h TYR 233 CO 0.00 0.18 0.00 0.66 -1.32 0.00 0.00 178.16 177.68 2gdd n TYR 234 N -3.43 0.08 -0.23 -3.82 4.01 0.58 -4.74 117.16 109.61 2gdd n TYR 234 Ca -0.00 -0.66 0.03 0.00 -0.16 0.00 0.00 57.90 57.11 2gdd n TYR 234 Cb 0.36 -0.09 0.13 0.00 -0.31 0.00 0.00 39.34 39.43 2gdd n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2gdd h LEU 235 N 0.26 -0.27 -0.54 7.72 3.38 -1.47 0.46 115.31 124.86 2gdd h LEU 235 Ca 0.00 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2gdd h LEU 235 Cb 0.70 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 2gdd h LEU 235 CO 0.01 -0.13 0.20 0.44 0.09 0.00 0.00 178.44 179.05 2gdd h ASP 236 N 0.13 0.20 -0.59 -0.43 3.45 -1.85 0.25 116.42 117.58 2gdd h ASP 236 Ca 0.37 0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.83 2gdd h ASP 236 Cb 0.62 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 2gdd h ASP 236 CO -0.58 0.13 0.13 -0.25 -1.57 0.00 0.00 179.24 177.11 2gdd h TRP 237 N 0.38 1.00 0.28 4.55 7.01 -1.34 -2.55 115.95 125.26 2gdd h TRP 237 Ca 0.26 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2gdd h TRP 237 Cb 0.29 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2gdd h TRP 237 CO -0.16 0.85 -0.13 0.82 -2.79 0.00 0.00 178.44 177.02 2gdd h ILE 238 N 0.85 0.76 0.00 2.65 2.04 -0.33 -2.60 117.51 120.89 2gdd h ILE 238 Ca 0.18 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2gdd h ILE 238 Cb 0.37 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2gdd h ILE 238 CO 0.00 0.06 0.00 1.41 0.00 0.00 0.00 178.15 179.63 2gdd n HIS 239 N -5.19 0.00 0.22 1.37 8.25 0.81 -0.60 115.22 120.09 2gdd n HIS 239 Ca -0.10 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.48 2gdd n HIS 239 Cb 0.21 -0.31 0.34 0.00 1.12 0.00 0.00 29.99 31.35 2gdd n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2gdd h HIS 240 N 0.00 0.00 0.00 4.41 -0.00 -1.04 -3.37 115.15 115.16 2gdd h HIS 240 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 2gdd h HIS 240 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 2gdd h HIS 240 CO 0.00 0.12 -1.18 0.66 -0.00 0.00 0.00 177.93 177.53 2gdd n TYR 241 N -3.17 0.00 -3.01 5.26 4.01 -0.08 -5.00 117.16 115.18 2gdd n TYR 241 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 2gdd n TYR 241 Cb 0.48 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 2gdd n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2gdd s VAL 242 N -2.06 4.82 0.27 -0.72 1.01 0.23 -5.02 120.40 118.92 2gdd s VAL 242 Ca -0.04 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 2gdd s VAL 242 Cb 0.01 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 2gdd s VAL 242 CO 0.07 -0.29 1.06 -2.65 0.00 0.00 0.00 175.10 173.29 2gdd n PRO 243 N 6.18 1.38 0.00 2.72 -0.02 -1.26 -4.38 135.00 139.61 2gdd n PRO 243 Ca 0.02 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.04 2gdd n PRO 243 Cb 0.48 -1.89 0.36 0.00 -0.02 0.00 0.00 33.50 32.43 2gdd n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11