#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gk3 s LYS 9 N 0.00 3.83 -0.10 3.23 2.20 -1.26 -0.81 119.74 126.83 2gk3 s LYS 9 Ca 0.00 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2gk3 s LYS 9 Cb 0.00 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2gk3 s LYS 9 CO 0.00 -0.06 -0.13 0.08 -0.36 0.00 0.00 175.35 174.87 2gk3 s VAL 10 N 1.32 1.32 -0.22 4.02 1.01 0.09 0.10 120.40 128.05 2gk3 s VAL 10 Ca 0.06 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2gk3 s VAL 10 Cb -0.15 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2gk3 s VAL 10 CO 0.05 0.40 0.59 -0.22 0.00 0.00 0.00 175.10 175.93 2gk3 s LEU 11 N 0.98 4.11 -0.21 3.92 0.20 -0.85 -0.34 118.68 126.49 2gk3 s LEU 11 Ca -0.08 0.73 0.00 0.00 0.69 0.00 0.00 54.13 55.48 2gk3 s LEU 11 Cb -0.15 -2.82 0.02 0.00 -0.43 0.00 0.00 46.19 42.82 2gk3 s LEU 11 CO -0.01 -0.28 -0.13 0.12 -0.29 0.00 0.00 176.35 175.76 2gk3 s PHE 12 N 2.05 2.94 -0.14 5.38 5.36 0.17 0.55 117.98 134.29 2gk3 s PHE 12 Ca 0.26 -1.64 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 2gk3 s PHE 12 Cb -0.16 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.54 2gk3 s PHE 12 CO 0.10 -0.77 -0.15 0.42 -1.46 0.00 0.00 175.22 173.36 2gk3 s ILE 13 N 1.29 2.83 0.00 3.12 1.01 0.11 -4.42 121.20 125.14 2gk3 s ILE 13 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2gk3 s ILE 13 Cb -0.15 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2gk3 s ILE 13 CO -0.09 0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2gk3 n GLY 14 N 3.74 0.23 3.75 6.18 0.00 -1.26 -1.88 105.19 115.95 2gk3 n GLY 14 Ca -0.19 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 2gk3 n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gk3 n GLU 15 N 0.00 -4.73 -3.93 1.61 -0.58 -0.39 -4.34 120.64 108.28 2gk3 n GLU 15 Ca 0.00 0.57 -0.10 0.00 -0.42 0.00 0.00 57.16 57.21 2gk3 n GLU 15 Cb 0.00 -5.40 -0.12 0.00 -0.57 0.00 0.00 31.44 25.35 2gk3 n GLU 15 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2gk3 s SER 16 N -3.11 0.14 0.02 1.62 1.04 -1.26 -0.07 113.70 112.08 2gk3 s SER 16 Ca 0.59 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 2gk3 s SER 16 Cb -0.30 0.07 0.05 0.00 0.10 0.00 0.00 66.02 65.93 2gk3 s SER 16 CO 0.73 -0.18 0.50 -1.66 0.98 0.00 0.00 173.24 173.60 2gk3 s TRP 17 N -0.87 -0.40 -0.21 5.02 -2.14 -0.48 -4.70 118.94 115.17 2gk3 s TRP 17 Ca -0.10 0.50 -0.05 0.00 2.66 0.00 0.00 56.10 59.12 2gk3 s TRP 17 Cb -0.06 0.30 -0.02 0.00 -3.10 0.00 0.00 33.47 30.59 2gk3 s TRP 17 CO -0.01 -0.59 -0.02 -1.58 -2.66 0.00 0.00 176.95 172.10 2gk3 s HIS 18 N -2.09 3.00 -0.19 1.66 2.46 -1.26 -1.49 115.29 117.38 2gk3 s HIS 18 Ca -0.07 -0.62 -0.11 0.00 0.47 0.00 0.00 55.06 54.73 2gk3 s HIS 18 Cb -0.01 -2.09 -0.05 0.00 -0.13 0.00 0.00 32.58 30.30 2gk3 s HIS 18 CO 0.01 -0.35 0.16 0.42 -2.47 0.00 0.00 174.74 172.51 2gk3 s ILE 19 N 1.18 5.39 0.51 0.89 1.01 0.13 -4.96 121.20 125.35 2gk3 s ILE 19 Ca 0.03 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.99 2gk3 s ILE 19 Cb -0.15 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2gk3 s ILE 19 CO 0.01 0.43 0.31 -2.28 0.00 0.00 0.00 174.94 173.40 2gk3 s HIS 20 N 0.36 1.86 -0.30 3.97 5.65 -1.26 -1.08 115.29 124.50 2gk3 s HIS 20 Ca 0.10 -0.81 -0.14 0.00 0.25 0.00 0.00 55.06 54.46 2gk3 s HIS 20 Cb -0.11 -1.89 0.18 0.00 -1.18 0.00 0.00 32.58 29.57 2gk3 s HIS 20 CO -0.01 -0.25 1.09 0.42 -0.65 0.00 0.00 174.74 175.34 2gk3 s ILE 22 N -2.75 -0.26 -0.45 0.89 1.01 -1.26 -5.01 121.20 113.37 2gk3 s ILE 22 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 2gk3 s ILE 22 Cb -0.01 -0.95 0.05 0.00 0.01 0.00 0.00 42.46 41.56 2gk3 s ILE 22 CO 0.19 0.00 0.39 -1.00 0.00 0.00 0.00 174.94 174.51 2gk3 s HIS 23 N 2.96 3.23 -0.23 3.97 3.76 0.21 -4.96 115.29 124.23 2gk3 s HIS 23 Ca -0.02 -0.78 -0.15 0.00 -0.15 0.00 0.00 55.06 53.96 2gk3 s HIS 23 Cb -0.09 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 2gk3 s HIS 23 CO -0.11 -0.75 0.39 -1.12 -0.85 0.00 0.00 174.74 172.30 2gk3 s SER 24 N 2.31 6.36 -0.49 1.40 0.01 -1.26 -1.41 113.70 120.62 2gk3 s SER 24 Ca 0.05 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.75 2gk3 s SER 24 Cb -0.22 -2.22 0.13 0.00 0.21 0.00 0.00 66.02 63.92 2gk3 s SER 24 CO 0.08 -0.12 0.25 -0.54 0.41 0.00 0.00 173.24 173.32 2gk3 s LYS 25 N 1.64 2.02 7.98 12.44 1.02 0.40 -4.98 119.74 140.26 2gk3 s LYS 25 Ca 0.17 -2.33 0.00 0.00 0.02 0.00 0.00 55.97 53.83 2gk3 s LYS 25 Cb -0.15 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2gk3 s LYS 25 CO 0.08 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 173.84 2gk3 n GLY 26 N 3.65 4.05 0.22 -3.33 0.00 -1.26 -2.74 105.19 105.78 2gk3 n GLY 26 Ca 0.05 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2gk3 n GLY 26 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gk3 h TYR 27 N 0.00 0.75 -2.86 1.61 3.20 -2.02 -3.46 116.97 114.20 2gk3 h TYR 27 Ca 0.00 -0.27 -0.46 0.00 3.14 0.00 0.00 58.73 61.14 2gk3 h TYR 27 Cb 0.00 -0.14 0.03 0.00 1.54 0.00 0.00 36.73 38.16 2gk3 h TYR 27 CO 0.00 1.01 -0.05 -0.51 -1.64 0.00 0.00 178.16 176.97 2gk3 s ASP 28 N -6.92 5.78 -0.12 -2.11 1.01 -1.11 -5.10 116.67 108.09 2gk3 s ASP 28 Ca -0.08 0.33 -0.18 0.00 0.71 0.00 0.00 52.55 53.34 2gk3 s ASP 28 Cb 0.11 -1.53 0.04 0.00 1.01 0.00 0.00 42.92 42.56 2gk3 s ASP 28 CO 0.85 -0.77 0.45 -0.94 0.21 0.00 0.00 175.17 174.97 2gk3 s SER 29 N -4.24 -0.43 0.29 0.27 1.04 -1.26 -0.46 113.70 108.91 2gk3 s SER 29 Ca 0.49 0.70 0.12 0.00 0.48 0.00 0.00 55.95 57.74 2gk3 s SER 29 Cb -0.10 0.74 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 2gk3 s SER 29 CO 0.39 -0.29 -0.18 0.72 0.98 0.00 0.00 173.24 174.86 2gk3 s PHE 30 N -0.31 2.32 0.18 5.02 -0.12 -0.50 -4.92 117.98 119.65 2gk3 s PHE 30 Ca -0.05 -0.35 0.09 0.00 -0.05 0.00 0.00 56.93 56.58 2gk3 s PHE 30 Cb -0.03 -1.05 -0.04 0.00 -0.63 0.00 0.00 43.02 41.26 2gk3 s PHE 30 CO 0.03 0.70 -0.11 0.95 -0.05 0.00 0.00 175.22 176.74 2gk3 s THR 31 N -2.52 3.10 -0.00 -4.49 -4.23 -1.26 -0.62 115.64 105.63 2gk3 s THR 31 Ca 0.30 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2gk3 s THR 31 Cb -0.04 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 2gk3 s THR 31 CO 0.15 -0.12 0.02 -0.94 -0.54 0.00 0.00 174.62 173.20 2gk3 s SER 32 N -2.84 0.05 0.15 3.99 1.04 -1.26 -5.01 113.70 109.83 2gk3 s SER 32 Ca 0.25 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.63 2gk3 s SER 32 Cb -0.09 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2gk3 s SER 32 CO 0.15 -0.13 -0.17 -0.44 0.98 0.00 0.00 173.24 173.63 2gk3 s SER 33 N -0.54 2.50 -0.25 7.02 0.01 -1.26 -4.56 113.70 116.61 2gk3 s SER 33 Ca -0.06 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.28 2gk3 s SER 33 Cb -0.04 -0.13 0.11 0.00 0.21 0.00 0.00 66.02 66.17 2gk3 s SER 33 CO -0.00 -0.06 0.53 -0.75 0.41 0.00 0.00 173.24 173.37 2gk3 s LYS 34 N -2.73 0.45 0.16 12.44 2.20 -0.24 -4.99 119.74 127.02 2gk3 s LYS 34 Ca 0.14 1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 56.88 2gk3 s LYS 34 Cb -0.06 0.57 -0.06 0.00 -1.51 0.00 0.00 37.83 36.77 2gk3 s LYS 34 CO 0.06 -0.25 0.45 -0.47 -0.36 0.00 0.00 175.35 174.78 2gk3 s TYR 35 N 2.75 3.48 -0.07 4.03 5.04 -1.26 0.17 117.35 131.49 2gk3 s TYR 35 Ca -0.03 0.74 -0.25 0.00 -2.44 0.00 0.00 57.07 55.10 2gk3 s TYR 35 Cb -0.12 -2.15 0.05 0.00 0.35 0.00 0.00 41.96 40.10 2gk3 s TYR 35 CO -0.16 0.39 0.56 -1.21 -1.34 0.00 0.00 175.55 173.79 2gk3 s GLU 36 N -2.55 0.89 0.06 4.97 2.02 -0.56 -4.99 118.70 118.54 2gk3 s GLU 36 Ca 0.42 0.21 0.09 0.00 0.02 0.00 0.00 54.97 55.71 2gk3 s GLU 36 Cb -0.12 0.42 -0.03 0.00 0.10 0.00 0.00 34.13 34.49 2gk3 s GLU 36 CO 0.22 -0.25 -0.23 -1.21 0.02 0.00 0.00 175.26 173.81 2gk3 s GLU 37 N -1.00 1.86 -0.14 1.61 2.02 -1.26 -1.38 118.70 120.41 2gk3 s GLU 37 Ca -0.10 -1.09 0.14 0.00 0.02 0.00 0.00 54.97 53.93 2gk3 s GLU 37 Cb -0.02 -2.06 -0.19 0.00 0.10 0.00 0.00 34.13 31.96 2gk3 s GLU 37 CO 0.07 0.51 0.07 0.41 0.02 0.00 0.00 175.26 176.34 2gk3 n GLY 38 N 1.55 -0.75 2.26 -1.39 0.00 0.90 -4.58 105.19 103.18 2gk3 n GLY 38 Ca -0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2gk3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gk3 n ALA 39 N -2.53 5.61 -0.13 4.61 0.00 -1.26 -4.75 120.51 122.05 2gk3 n ALA 39 Ca -0.23 -3.77 -0.08 0.00 0.00 0.00 0.00 53.44 49.35 2gk3 n ALA 39 Cb 0.96 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 2gk3 n ALA 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2gk3 h THR 40 N 1.80 1.12 0.83 0.00 2.02 -1.94 -1.06 112.91 115.70 2gk3 h THR 40 Ca 0.46 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 2gk3 h THR 40 Cb 1.09 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2gk3 h THR 40 CO 1.12 0.12 -0.45 -0.25 0.37 0.00 0.00 175.52 176.43 2gk3 h TRP 41 N 0.53 -1.19 -0.82 3.16 -0.00 -1.97 -2.02 115.95 113.63 2gk3 h TRP 41 Ca 0.14 -0.02 0.15 0.00 -0.00 0.00 0.00 58.89 59.17 2gk3 h TRP 41 Cb -0.01 0.41 -0.15 0.00 -0.00 0.00 0.00 29.16 29.41 2gk3 h TRP 41 CO -0.04 -0.70 -0.27 1.25 -0.00 0.00 0.00 178.44 178.68 2gk3 h LEU 42 N -1.19 -0.98 -1.53 0.65 7.12 -1.87 0.11 115.31 117.62 2gk3 h LEU 42 Ca -0.11 0.26 -0.05 0.00 0.13 0.00 0.00 57.88 58.10 2gk3 h LEU 42 Cb 0.93 0.58 -0.01 0.00 -0.53 0.00 0.00 40.66 41.63 2gk3 h LEU 42 CO 0.15 -0.29 -0.24 -0.07 -0.13 0.00 0.00 178.44 177.86 2gk3 h LEU 43 N -0.03 0.00 -0.00 2.25 3.38 -1.07 0.59 115.31 120.43 2gk3 h LEU 43 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2gk3 h LEU 43 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gk3 h LEU 43 CO -0.85 0.24 -0.01 -0.08 0.09 0.00 0.00 178.44 177.83 2gk3 h GLU 44 N 0.00 0.01 -0.94 1.13 4.81 -0.23 -1.85 114.58 117.51 2gk3 h GLU 44 Ca -0.00 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2gk3 h GLU 44 Cb 0.45 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 2gk3 h GLU 44 CO 0.03 0.61 0.58 0.00 -0.73 0.00 0.00 179.01 179.50 2gk3 h LEU 46 N 0.96 0.88 -0.51 0.00 3.38 -0.90 -0.67 115.31 118.45 2gk3 h LEU 46 Ca 0.45 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2gk3 h LEU 46 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2gk3 h LEU 46 CO -0.24 1.18 -0.35 0.03 0.09 0.00 0.00 178.44 179.15 2gk3 h ARG 47 N 0.66 0.84 0.00 1.13 3.08 -0.90 0.14 114.38 119.34 2gk3 h ARG 47 Ca 0.05 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 2gk3 h ARG 47 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2gk3 h ARG 47 CO 0.10 1.05 -0.11 0.87 -1.07 0.00 0.00 179.97 180.81 2gk3 h LYS 48 N 0.69 0.00 -0.73 0.04 1.57 -0.74 -1.78 116.57 115.62 2gk3 h LYS 48 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2gk3 h LYS 48 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2gk3 h LYS 48 CO 0.08 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 2gk3 n GLY 49 N 0.12 2.18 1.65 3.86 0.00 -0.27 -4.92 105.19 107.81 2gk3 n GLY 49 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2gk3 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gk3 n GLY 50 N 0.44 0.50 3.76 -0.02 0.00 -0.67 -5.01 105.19 104.19 2gk3 n GLY 50 Ca 0.15 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 2gk3 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gk3 s VAL 51 N -2.00 5.39 -0.47 1.61 1.01 0.02 -4.57 120.40 121.39 2gk3 s VAL 51 Ca 0.00 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 2gk3 s VAL 51 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2gk3 s VAL 51 CO 0.00 0.46 0.73 -0.62 0.00 0.00 0.00 175.10 175.67 2gk3 s ASP 52 N 0.13 6.34 -0.21 3.32 2.15 0.01 -4.02 116.67 124.39 2gk3 s ASP 52 Ca 0.11 -0.36 -0.06 0.00 0.43 0.00 0.00 52.55 52.67 2gk3 s ASP 52 Cb -0.12 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 2gk3 s ASP 52 CO 0.01 -0.90 0.03 -0.63 -0.17 0.00 0.00 175.17 173.50 2gk3 s ILE 53 N 3.10 4.17 -0.39 4.11 1.01 -1.26 -0.73 121.20 131.21 2gk3 s ILE 53 Ca 0.25 -0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 2gk3 s ILE 53 Cb -0.14 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2gk3 s ILE 53 CO 0.19 0.41 0.57 -1.81 0.00 0.00 0.00 174.94 174.30 2gk3 s ASP 54 N 1.05 6.31 0.74 3.58 1.01 0.54 -4.97 116.67 124.93 2gk3 s ASP 54 Ca 0.03 -0.22 -0.02 0.00 0.71 0.00 0.00 52.55 53.05 2gk3 s ASP 54 Cb -0.14 -2.29 0.14 0.00 1.01 0.00 0.00 42.92 41.63 2gk3 s ASP 54 CO 0.02 -0.62 1.02 -0.47 0.21 0.00 0.00 175.17 175.33 2gk3 s TYR 55 N 2.55 1.51 0.18 4.23 5.04 -1.26 -0.66 117.35 128.95 2gk3 s TYR 55 Ca 0.20 -0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.48 2gk3 s TYR 55 Cb -0.15 -3.06 -0.01 0.00 0.35 0.00 0.00 41.96 39.09 2gk3 s TYR 55 CO 0.16 -1.80 0.29 -2.14 -1.34 0.00 0.00 175.55 170.72 2gk3 s PRO 57 N -5.20 1.23 0.24 4.97 0.02 -1.26 -4.97 135.00 130.02 2gk3 s PRO 57 Ca 0.67 -1.25 -0.07 0.00 0.02 0.00 0.00 61.00 60.37 2gk3 s PRO 57 Cb -0.05 0.38 0.23 0.00 0.02 0.00 0.00 34.50 35.08 2gk3 s PRO 57 CO 0.45 -0.46 1.89 0.00 -0.33 0.00 0.00 177.00 178.56 2gk3 h ALA 58 N 2.51 1.20 0.00 -1.55 0.00 -1.84 -1.41 119.26 118.17 2gk3 h ALA 58 Ca -0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2gk3 h ALA 58 Cb 1.23 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2gk3 h ALA 58 CO 0.47 0.65 -0.18 1.12 0.00 0.00 0.00 179.25 181.31 2gk3 h HIS 59 N 1.30 0.00 -0.50 0.00 -0.00 -1.97 -2.50 115.15 111.48 2gk3 h HIS 59 Ca 0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.60 2gk3 h HIS 59 Cb -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 2gk3 h HIS 59 CO 0.00 0.18 -0.13 1.15 -0.00 0.00 0.00 177.93 179.14 2gk3 h THR 60 N 0.00 1.27 -0.67 6.12 2.02 -1.70 -2.78 112.91 117.16 2gk3 h THR 60 Ca -0.00 -1.26 0.10 0.00 0.77 0.00 0.00 66.41 66.02 2gk3 h THR 60 Cb 0.34 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2gk3 h THR 60 CO 0.02 0.44 0.29 0.58 0.37 0.00 0.00 175.52 177.22 2gk3 h VAL 61 N 0.83 0.78 -0.39 3.16 2.07 -1.32 0.30 116.25 121.68 2gk3 h VAL 61 Ca 0.13 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2gk3 h VAL 61 Cb 0.67 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2gk3 h VAL 61 CO 0.05 0.09 0.20 1.56 0.02 0.00 0.00 177.57 179.49 2gk3 h GLN 62 N 0.49 0.53 0.01 1.57 4.20 -1.34 -2.99 115.11 117.57 2gk3 h GLN 62 Ca 0.34 -0.05 -0.38 0.00 0.06 0.00 0.00 58.65 58.63 2gk3 h GLN 62 Cb 0.42 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 2gk3 h GLN 62 CO -0.31 0.40 -2.39 -0.89 -0.67 0.00 0.00 178.83 174.98 2gk3 n ILE 63 N -4.43 1.46 -2.24 2.54 5.41 -0.99 -1.66 119.36 119.46 2gk3 n ILE 63 Ca 0.03 -0.71 0.01 0.00 1.00 0.00 0.00 62.75 63.07 2gk3 n ILE 63 Cb 0.11 -0.99 -0.00 0.00 -0.71 0.00 0.00 39.64 38.04 2gk3 n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gk3 n ALA 64 N -2.99 2.50 -1.70 -1.39 0.00 0.10 -5.01 120.51 112.02 2gk3 n ALA 64 Ca -0.38 -1.48 -0.43 0.00 0.00 0.00 0.00 53.44 51.14 2gk3 n ALA 64 Cb 1.07 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 2gk3 n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gk3 n PHE 65 N 0.24 2.60 -1.67 0.00 7.35 -1.13 -4.86 117.46 119.97 2gk3 n PHE 65 Ca -0.02 0.15 -0.49 0.00 -0.76 0.00 0.00 57.45 56.32 2gk3 n PHE 65 Cb 0.89 -2.62 -0.05 0.00 0.35 0.00 0.00 39.48 38.05 2gk3 n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2gk3 n PRO 66 N 3.54 2.01 0.17 -7.13 -0.02 -1.26 -4.90 135.00 127.41 2gk3 n PRO 66 Ca 0.15 0.73 0.05 0.00 -2.02 0.00 0.00 63.50 62.42 2gk3 n PRO 66 Cb 0.33 -2.53 0.16 0.00 -0.02 0.00 0.00 33.50 31.45 2gk3 n PRO 66 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gk3 h GLU 67 N 7.75 0.00 -6.12 -0.52 5.08 -1.97 -3.46 114.58 115.35 2gk3 h GLU 67 Ca -0.47 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.21 2gk3 h GLU 67 Cb 1.27 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 2gk3 h GLU 67 CO 0.92 0.38 -0.65 -1.54 -1.00 0.00 0.00 179.01 177.11 2gk3 s SER 68 N -6.37 5.02 0.57 1.42 1.04 -1.26 -4.89 113.70 109.23 2gk3 s SER 68 Ca 0.03 0.01 0.33 0.00 0.48 0.00 0.00 55.95 56.81 2gk3 s SER 68 Cb 0.08 -1.32 1.70 0.00 0.10 0.00 0.00 66.02 66.58 2gk3 s SER 68 CO 0.71 0.32 2.14 0.16 0.98 0.00 0.00 173.24 177.55 2gk3 h ILE 69 N 3.83 0.31 -0.81 -1.02 -2.65 -1.91 -2.65 117.51 112.60 2gk3 h ILE 69 Ca -0.49 -0.37 -0.04 0.00 1.03 0.00 0.00 64.86 64.98 2gk3 h ILE 69 Cb 1.18 1.28 -0.04 0.00 -2.05 0.00 0.00 36.82 37.19 2gk3 h ILE 69 CO 0.55 0.06 0.34 0.44 0.03 0.00 0.00 178.15 179.57 2gk3 h ASP 70 N 0.00 1.10 -0.92 2.16 5.19 -1.98 0.22 116.42 122.18 2gk3 h ASP 70 Ca -0.00 -0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.29 2gk3 h ASP 70 Cb 0.27 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.44 2gk3 h ASP 70 CO 0.01 0.96 0.59 -0.33 -3.12 0.00 0.00 179.24 177.35 2gk3 h GLU 71 N 1.17 1.11 0.01 3.56 5.08 -1.88 -3.08 114.58 120.53 2gk3 h GLU 71 Ca 0.27 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.37 2gk3 h GLU 71 Cb 0.19 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2gk3 h GLU 71 CO -0.03 0.73 -0.90 -0.07 -1.00 0.00 0.00 179.01 177.75 2gk3 h LEU 72 N 1.14 0.13 -1.27 1.33 3.38 -1.33 -3.32 115.31 115.37 2gk3 h LEU 72 Ca 0.37 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2gk3 h LEU 72 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2gk3 h LEU 72 CO -0.13 0.96 0.00 0.78 0.09 0.00 0.00 178.44 180.14 2gk3 h ASN 73 N 0.05 0.00 0.52 -0.43 2.35 -0.51 -1.31 115.58 116.25 2gk3 h ASN 73 Ca -0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2gk3 h ASN 73 Cb 1.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 2gk3 h ASN 73 CO 0.13 0.00 -0.44 0.08 -1.65 0.00 0.00 177.43 175.55 2gk3 h ARG 74 N 0.00 0.00 -6.95 0.81 0.11 -1.68 -3.45 114.38 103.22 2gk3 h ARG 74 Ca 0.00 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.60 2gk3 h ARG 74 Cb 0.13 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.22 2gk3 h ARG 74 CO 0.00 0.44 0.40 0.71 0.10 0.00 0.00 179.97 181.62 2gk3 s TYR 75 N -3.91 3.35 -0.06 4.08 2.02 -0.50 -4.85 117.35 117.49 2gk3 s TYR 75 Ca -0.02 1.67 0.03 0.00 -0.37 0.00 0.00 57.07 58.37 2gk3 s TYR 75 Cb 0.13 -3.08 -0.25 0.00 -0.40 0.00 0.00 41.96 38.36 2gk3 s TYR 75 CO 0.72 -0.46 0.62 -0.44 -1.57 0.00 0.00 175.55 174.43 2gk3 h ASP 76 N 2.63 0.22 -3.86 2.29 3.32 -0.65 -3.45 116.42 116.92 2gk3 h ASP 76 Ca -0.48 -0.44 -0.20 0.00 0.02 0.00 0.00 57.03 55.93 2gk3 h ASP 76 Cb 1.21 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.42 2gk3 h ASP 76 CO 0.63 1.39 -0.61 -0.69 -1.72 0.00 0.00 179.24 178.23 2gk3 s VAL 77 N -2.59 0.01 -0.14 -1.35 1.01 -1.21 -1.81 120.40 114.31 2gk3 s VAL 77 Ca -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2gk3 s VAL 77 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 2gk3 s VAL 77 CO 0.81 -0.03 -0.03 -0.63 0.00 0.00 0.00 175.10 175.22 2gk3 s ILE 78 N -0.07 4.02 -0.10 2.22 1.01 0.46 -2.02 121.20 126.73 2gk3 s ILE 78 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2gk3 s ILE 78 Cb -0.01 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2gk3 s ILE 78 CO 0.00 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.70 2gk3 s VAL 79 N 0.09 3.66 -0.13 2.92 1.01 0.19 -1.48 120.40 126.67 2gk3 s VAL 79 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2gk3 s VAL 79 Cb -0.13 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.74 2gk3 s VAL 79 CO 0.02 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 2gk3 s ILE 80 N -0.36 1.51 -0.11 2.22 1.01 -0.06 0.09 121.20 125.50 2gk3 s ILE 80 Ca 0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 2gk3 s ILE 80 Cb -0.12 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 40.99 2gk3 s ILE 80 CO 0.02 0.45 0.26 -0.55 0.00 0.00 0.00 174.94 175.12 2gk3 s SER 81 N 1.22 -0.19 -1.48 3.58 0.15 -0.79 -1.07 113.70 115.13 2gk3 s SER 81 Ca -0.01 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.08 2gk3 s SER 81 Cb -0.14 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 2gk3 s SER 81 CO -0.06 -0.18 0.94 0.47 1.20 0.00 0.00 173.24 175.62 2gk3 n ASP 82 N 4.40 -4.22 -3.68 5.45 8.00 -1.26 -1.27 116.55 123.96 2gk3 n ASP 82 Ca -0.22 -0.77 -0.20 0.00 0.71 0.00 0.00 54.79 54.30 2gk3 n ASP 82 Cb 0.53 -3.99 -0.18 0.00 -0.02 0.00 0.00 41.12 37.46 2gk3 n ASP 82 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2gk3 s ILE 83 N -3.37 -0.08 0.48 0.53 2.07 -0.94 -4.15 121.20 115.74 2gk3 s ILE 83 Ca 0.53 0.40 -0.15 0.00 -1.41 0.00 0.00 60.65 60.02 2gk3 s ILE 83 Cb -0.27 -0.17 -0.08 0.00 0.13 0.00 0.00 42.46 42.08 2gk3 s ILE 83 CO 0.82 0.18 0.93 -0.83 -1.91 0.00 0.00 174.94 174.13 2gk3 s GLY 84 N 2.09 2.05 0.44 1.50 0.00 -1.13 -4.68 107.32 107.60 2gk3 s GLY 84 Ca 0.04 0.09 0.28 0.00 0.00 0.00 0.00 44.72 45.13 2gk3 s GLY 84 CO -0.03 0.34 1.69 1.48 0.00 0.00 0.00 173.10 176.58 2gk3 h SER 85 N 1.06 0.27 -0.37 1.64 4.64 -1.62 -1.51 113.55 117.66 2gk3 h SER 85 Ca -0.47 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2gk3 h SER 85 Cb 1.18 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2gk3 h SER 85 CO 0.62 -0.07 0.21 0.78 -0.87 0.00 0.00 176.83 177.51 2gk3 h ASN 86 N 0.17 0.48 -0.65 4.97 2.35 -1.87 -1.88 115.58 119.15 2gk3 h ASN 86 Ca 0.73 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.43 2gk3 h ASN 86 Cb 2.25 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 40.47 2gk3 h ASN 86 CO -0.32 0.39 0.32 0.74 -1.65 0.00 0.00 177.43 176.91 2gk3 h THR 87 N 0.55 1.22 -0.41 2.81 2.02 -1.60 0.31 112.91 117.82 2gk3 h THR 87 Ca 0.14 -0.61 -0.15 0.00 0.77 0.00 0.00 66.41 66.56 2gk3 h THR 87 Cb 0.02 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2gk3 h THR 87 CO -0.02 0.25 -0.34 -0.26 0.37 0.00 0.00 175.52 175.52 2gk3 h PHE 88 N 0.89 1.13 0.03 3.16 -1.00 -1.54 -3.33 116.94 116.28 2gk3 h PHE 88 Ca 0.22 -0.32 -0.27 0.00 2.81 0.00 0.00 57.97 60.41 2gk3 h PHE 88 Cb 0.11 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 2gk3 h PHE 88 CO 0.00 1.15 -1.42 -0.07 -1.61 0.00 0.00 178.31 176.36 2gk3 h LEU 89 N 0.78 0.11 -5.14 1.54 3.38 -1.18 -3.38 115.31 111.42 2gk3 h LEU 89 Ca 0.07 -0.16 -0.66 0.00 0.09 0.00 0.00 57.88 57.22 2gk3 h LEU 89 Cb 0.93 -0.03 -0.36 0.00 0.09 0.00 0.00 40.66 41.28 2gk3 h LEU 89 CO 0.09 1.13 -0.04 0.18 0.09 0.00 0.00 178.44 179.89 2gk3 n LEU 90 N -3.26 5.67 -4.61 1.67 4.77 0.11 -4.96 117.00 116.38 2gk3 n LEU 90 Ca -0.11 -5.31 -0.32 0.00 -0.03 0.00 0.00 56.01 50.24 2gk3 n LEU 90 Cb 1.01 -0.73 0.15 0.00 -2.33 0.00 0.00 43.42 41.52 2gk3 n LEU 90 CO 0.47 2.15 0.50 0.00 -1.33 0.00 0.00 177.39 179.17 2gk3 n GLN 91 N -0.35 -0.38 -0.21 3.23 6.02 -1.25 -4.53 117.38 119.91 2gk3 n GLN 91 Ca 0.41 -0.05 0.01 0.00 -0.01 0.00 0.00 57.00 57.37 2gk3 n GLN 91 Cb 0.43 -2.25 0.26 0.00 1.02 0.00 0.00 30.24 29.70 2gk3 n GLN 91 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2gk3 h ASN 92 N -1.75 0.83 0.43 1.08 2.35 -1.66 0.20 115.58 117.06 2gk3 h ASN 92 Ca -0.43 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.23 2gk3 h ASN 92 Cb 1.28 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 2gk3 h ASN 92 CO 0.40 0.59 -0.33 -0.33 -1.65 0.00 0.00 177.43 176.11 2gk3 h GLU 93 N 0.97 0.00 0.08 0.81 5.08 -1.91 -0.79 114.58 118.83 2gk3 h GLU 93 Ca 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2gk3 h GLU 93 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2gk3 h GLU 93 CO -0.07 0.33 -0.04 1.15 -1.00 0.00 0.00 179.01 179.39 2gk3 h THR 94 N 0.00 1.14 0.00 1.13 2.02 -1.26 0.17 112.91 116.11 2gk3 h THR 94 Ca -0.00 -1.39 -0.20 0.00 0.77 0.00 0.00 66.41 65.59 2gk3 h THR 94 Cb 0.64 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 2gk3 h THR 94 CO 0.04 0.31 -1.03 0.15 0.37 0.00 0.00 175.52 175.36 2gk3 h PHE 95 N -0.81 0.00 0.00 3.16 3.57 -0.94 -3.33 116.94 118.59 2gk3 h PHE 95 Ca -0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2gk3 h PHE 95 Cb 0.60 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2gk3 h PHE 95 CO 0.13 0.87 -1.33 0.66 -2.23 0.00 0.00 178.31 176.41 2gk3 n TYR 96 N -3.25 0.00 1.13 0.41 4.01 -0.32 -4.75 117.16 114.39 2gk3 n TYR 96 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 2gk3 n TYR 96 Cb 0.91 -0.23 0.21 0.00 -0.31 0.00 0.00 39.34 39.92 2gk3 n TYR 96 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2gk3 n GLN 97 N -2.55 2.11 -3.52 -0.72 6.02 -1.12 -4.96 117.38 112.65 2gk3 n GLN 97 Ca -0.10 -1.64 -0.25 0.00 -0.01 0.00 0.00 57.00 55.00 2gk3 n GLN 97 Cb 0.62 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.46 2gk3 n GLN 97 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gk3 n LEU 98 N 0.99 -2.83 -4.91 1.08 4.77 -0.96 -4.97 117.00 110.18 2gk3 n LEU 98 Ca 0.15 -0.53 -0.27 0.00 -0.03 0.00 0.00 56.01 55.33 2gk3 n LEU 98 Cb 0.53 -2.81 -0.02 0.00 -2.33 0.00 0.00 43.42 38.79 2gk3 n LEU 98 CO 0.16 0.46 0.31 -0.54 -1.33 0.00 0.00 177.39 176.44 2gk3 s LYS 99 N -6.22 3.59 -0.18 3.23 1.02 0.55 -5.02 119.74 116.71 2gk3 s LYS 99 Ca 0.52 0.06 -0.11 0.00 0.02 0.00 0.00 55.97 56.46 2gk3 s LYS 99 Cb -0.25 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2gk3 s LYS 99 CO 0.65 0.03 0.18 0.42 -0.92 0.00 0.00 175.35 175.71 2gk3 s ILE 100 N -2.39 5.38 0.04 2.17 1.01 -1.26 -4.36 121.20 121.79 2gk3 s ILE 100 Ca 0.45 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.44 2gk3 s ILE 100 Cb -0.10 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2gk3 s ILE 100 CO 0.36 0.44 -0.10 -0.75 0.00 0.00 0.00 174.94 174.90 2gk3 s LYS 101 N 0.25 0.63 0.63 2.79 2.47 -1.26 -5.05 119.74 120.21 2gk3 s LYS 101 Ca 0.11 -0.74 -0.18 0.00 -1.56 0.00 0.00 55.97 53.60 2gk3 s LYS 101 Cb -0.12 -0.50 -0.02 0.00 -1.46 0.00 0.00 37.83 35.73 2gk3 s LYS 101 CO 0.00 0.11 1.26 -2.14 0.16 0.00 0.00 175.35 174.75 2gk3 s PRO 102 N -1.41 2.68 -0.36 4.03 0.02 -1.26 -4.92 135.00 133.78 2gk3 s PRO 102 Ca -0.06 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 2gk3 s PRO 102 Cb -0.09 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.57 2gk3 s PRO 102 CO 0.01 -1.47 1.19 1.21 -0.33 0.00 0.00 177.00 177.60 2gk3 s ASN 103 N -1.48 6.73 0.23 2.53 3.84 -1.26 -4.93 114.94 120.60 2gk3 s ASN 103 Ca 0.81 0.93 -0.06 0.00 0.21 0.00 0.00 52.86 54.75 2gk3 s ASN 103 Cb -0.35 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.13 2gk3 s ASN 103 CO 0.38 -1.08 1.83 0.00 -2.79 0.00 0.00 177.10 175.44 2gk3 h ALA 104 N 8.95 1.11 -0.38 1.71 0.00 -1.92 -0.09 119.26 128.64 2gk3 h ALA 104 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2gk3 h ALA 104 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2gk3 h ALA 104 CO 1.06 0.19 -0.25 -0.07 0.00 0.00 0.00 179.25 180.18 2gk3 h LEU 105 N 0.87 0.81 -0.86 0.00 3.38 -1.92 -1.57 115.31 116.02 2gk3 h LEU 105 Ca 0.36 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2gk3 h LEU 105 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2gk3 h LEU 105 CO -0.19 1.03 0.22 -0.33 0.09 0.00 0.00 178.44 179.27 2gk3 h GLU 106 N 0.68 1.06 0.06 1.13 4.39 -1.82 0.41 114.58 120.50 2gk3 h GLU 106 Ca 0.09 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2gk3 h GLU 106 Cb 0.78 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2gk3 h GLU 106 CO 0.06 0.90 -0.03 0.77 -1.16 0.00 0.00 179.01 179.56 2gk3 h SER 107 N 1.03 -0.07 -0.41 1.42 0.02 -0.77 0.23 113.55 114.99 2gk3 h SER 107 Ca 0.23 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2gk3 h SER 107 Cb 0.28 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2gk3 h SER 107 CO -0.01 -0.01 0.23 0.40 -1.14 0.00 0.00 176.83 176.30 2gk3 h ILE 108 N -0.13 1.01 -0.41 3.27 2.04 -1.23 0.96 117.51 123.02 2gk3 h ILE 108 Ca -0.01 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2gk3 h ILE 108 Cb 0.11 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 2gk3 h ILE 108 CO 0.01 0.08 0.08 0.50 0.00 0.00 0.00 178.15 178.82 2gk3 h LYS 109 N 0.46 0.20 -0.71 2.37 3.64 -0.62 -0.72 116.57 121.18 2gk3 h LYS 109 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2gk3 h LYS 109 Cb 0.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2gk3 h LYS 109 CO -0.10 0.13 0.37 1.49 -2.27 0.00 0.00 179.45 179.07 2gk3 h GLU 110 N 0.20 0.99 -0.39 1.90 4.57 -0.18 -1.74 114.58 119.94 2gk3 h GLU 110 Ca 0.20 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 2gk3 h GLU 110 Cb 0.24 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 2gk3 h GLU 110 CO -0.26 0.76 0.11 -0.92 -1.18 0.00 0.00 179.01 177.52 2gk3 h TYR 111 N 0.97 0.20 0.11 0.92 3.20 -0.15 -2.42 116.97 119.81 2gk3 h TYR 111 Ca 0.25 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2gk3 h TYR 111 Cb 0.06 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2gk3 h TYR 111 CO -0.00 0.06 -0.05 0.28 -1.64 0.00 0.00 178.16 176.81 2gk3 h VAL 112 N 0.26 1.01 -0.79 1.81 2.07 -1.03 -1.31 116.25 118.27 2gk3 h VAL 112 Ca 0.18 -0.49 0.32 0.00 0.82 0.00 0.00 66.70 67.54 2gk3 h VAL 112 Cb 0.18 1.32 -0.14 0.00 -1.52 0.00 0.00 31.29 31.13 2gk3 h VAL 112 CO -0.21 0.12 0.40 1.17 0.02 0.00 0.00 177.57 179.08 2gk3 n LYS 113 N -5.05 -0.05 -1.06 1.57 4.81 -0.67 -1.13 118.16 116.58 2gk3 n LYS 113 Ca -0.08 1.09 -0.13 0.00 -0.87 0.00 0.00 58.31 58.32 2gk3 n LYS 113 Cb 0.17 -1.95 0.24 0.00 0.02 0.00 0.00 35.03 33.51 2gk3 n LYS 113 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2gk3 n ASN 114 N -4.80 4.05 0.00 3.14 3.02 -0.92 -1.98 115.26 117.77 2gk3 n ASN 114 Ca 0.29 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 2gk3 n ASN 114 Cb 0.99 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 2gk3 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gk3 n GLY 115 N -0.72 1.45 3.76 7.41 0.00 -0.29 -4.92 105.19 111.89 2gk3 n GLY 115 Ca 0.47 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 2gk3 n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gk3 s GLY 116 N -2.21 2.89 0.02 -0.02 0.00 -0.52 -4.00 107.32 103.47 2gk3 s GLY 116 Ca 0.00 1.21 -0.06 0.00 0.00 0.00 0.00 44.72 45.87 2gk3 s GLY 116 CO 0.00 1.75 0.27 -0.32 0.00 0.00 0.00 173.10 174.80 2gk3 s GLY 117 N -0.90 2.24 -0.08 0.20 0.00 -1.00 -3.62 107.32 104.16 2gk3 s GLY 117 Ca 0.61 -0.61 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 2gk3 s GLY 117 CO 0.46 -0.45 -0.05 -2.27 0.00 0.00 0.00 173.10 170.79 2gk3 s LEU 118 N -1.91 1.05 0.00 0.66 2.96 -0.86 -0.40 118.68 120.18 2gk3 s LEU 118 Ca 0.29 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2gk3 s LEU 118 Cb -0.13 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 45.92 2gk3 s LEU 118 CO 0.18 -0.12 0.00 -0.11 -1.32 0.00 0.00 176.35 174.98 2gk3 n LEU 119 N 4.75 0.00 -3.64 -0.68 7.94 -0.55 -0.63 117.00 124.20 2gk3 n LEU 119 Ca -0.14 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.68 2gk3 n LEU 119 Cb 0.50 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.38 2gk3 n LEU 119 CO 0.16 -0.18 0.69 -0.63 -1.11 0.00 0.00 177.39 176.33 2gk3 s ILE 121 N 0.47 0.00 0.82 1.96 1.01 -0.23 -0.89 121.20 124.35 2gk3 s ILE 121 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 2gk3 s ILE 121 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.55 2gk3 s ILE 121 CO 0.00 0.00 1.11 -0.83 0.00 0.00 0.00 174.94 175.22 2gk3 s GLY 122 N 0.43 1.61 0.00 6.18 0.00 0.90 -4.16 107.32 112.28 2gk3 s GLY 122 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2gk3 s GLY 122 CO -0.07 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.81 2gk3 n GLY 123 N -2.15 -2.49 0.24 0.20 0.00 -1.26 -3.76 105.19 95.96 2gk3 n GLY 123 Ca 0.07 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.76 2gk3 n GLY 123 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2gk3 h TYR 124 N 0.00 0.00 -0.36 1.61 -1.99 -1.96 -2.91 116.97 111.37 2gk3 h TYR 124 Ca 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 2gk3 h TYR 124 Cb 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.64 2gk3 h TYR 124 CO 0.00 0.11 -0.02 1.28 -0.00 0.00 0.00 178.16 179.52 2gk3 n LEU 125 N -4.39 4.18 -4.61 3.88 4.32 -1.26 -1.45 117.00 117.67 2gk3 n LEU 125 Ca -0.03 -3.59 -0.25 0.00 -0.02 0.00 0.00 56.01 52.12 2gk3 n LEU 125 Cb 0.18 -0.62 -0.09 0.00 -1.62 0.00 0.00 43.42 41.27 2gk3 n LEU 125 CO 0.35 1.11 -0.32 -0.44 -1.22 0.00 0.00 177.39 176.87 2gk3 s SER 126 N -2.35 4.09 0.00 -1.43 0.01 -1.10 -2.20 113.70 110.72 2gk3 s SER 126 Ca 0.45 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2gk3 s SER 126 Cb 0.39 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2gk3 s SER 126 CO 0.02 -0.21 0.00 0.49 0.41 0.00 0.00 173.24 173.95 2gk3 n PHE 127 N -0.91 0.00 -2.91 2.43 3.72 -1.26 -4.71 117.46 113.81 2gk3 n PHE 127 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2gk3 n PHE 127 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 2gk3 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gk3 n GLY 129 N 0.00 -0.66 3.72 1.37 0.00 -1.26 -1.65 105.19 106.72 2gk3 n GLY 129 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2gk3 n GLY 129 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gk3 s ILE 130 N -2.76 2.34 -1.04 -0.61 1.10 -0.53 -1.63 121.20 118.06 2gk3 s ILE 130 Ca 0.00 0.25 0.00 0.00 -0.51 0.00 0.00 60.65 60.39 2gk3 s ILE 130 Cb 0.00 -3.16 0.00 0.00 0.15 0.00 0.00 42.46 39.45 2gk3 s ILE 130 CO 0.00 0.02 0.00 -0.62 -2.11 0.00 0.00 174.94 172.23 2gk3 n GLU 131 N 3.72 -1.66 -2.03 3.50 1.02 -1.26 -1.06 120.64 122.86 2gk3 n GLU 131 Ca 0.14 0.58 -0.18 0.00 -0.02 0.00 0.00 57.16 57.68 2gk3 n GLU 131 Cb 0.37 -4.93 -0.04 0.00 -0.02 0.00 0.00 31.44 26.82 2gk3 n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gk3 n ALA 132 N -0.76 -0.50 0.05 0.62 0.00 -0.65 -4.78 120.51 114.50 2gk3 n ALA 132 Ca -0.11 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 2gk3 n ALA 132 Cb 0.45 -1.92 0.22 0.00 0.00 0.00 0.00 19.45 18.19 2gk3 n ALA 132 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2gk3 h LYS 133 N 0.00 0.38 -0.67 0.00 1.57 -1.29 -2.44 116.57 114.12 2gk3 h LYS 133 Ca -0.41 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 2gk3 h LYS 133 Cb 1.27 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 2gk3 h LYS 133 CO 0.53 0.65 0.31 0.00 -0.57 0.00 0.00 179.45 180.37 2gk3 h ALA 134 N 1.34 1.29 -2.20 3.86 0.00 -1.79 -3.44 119.26 118.33 2gk3 h ALA 134 Ca 0.04 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 2gk3 h ALA 134 Cb 0.71 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2gk3 h ALA 134 CO 0.05 0.54 -0.43 -1.71 0.00 0.00 0.00 179.25 177.71 2gk3 n ASN 135 N -4.33 -5.10 0.17 0.00 5.15 -0.92 -1.72 115.26 108.50 2gk3 n ASN 135 Ca 0.06 0.06 0.01 0.00 -0.60 0.00 0.00 54.58 54.12 2gk3 n ASN 135 Cb 0.14 -4.18 0.32 0.00 -0.53 0.00 0.00 39.78 35.53 2gk3 n ASN 135 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2gk3 h TYR 136 N 0.00 0.05 -0.66 1.20 -1.99 -1.62 -2.51 116.97 111.44 2gk3 h TYR 136 Ca -0.40 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.40 2gk3 h TYR 136 Cb 1.28 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.95 2gk3 h TYR 136 CO 0.47 0.43 0.44 -0.22 -0.00 0.00 0.00 178.16 179.28 2gk3 h LYS 137 N 0.04 0.52 -1.04 4.88 3.64 -1.89 -1.52 116.57 121.19 2gk3 h LYS 137 Ca 0.00 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.05 2gk3 h LYS 137 Cb 0.72 -0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.25 2gk3 h LYS 137 CO 0.05 0.35 0.38 0.09 -2.27 0.00 0.00 179.45 178.05 2gk3 n ASN 138 N -4.48 3.73 -4.35 4.20 3.02 -0.94 -4.73 115.26 111.71 2gk3 n ASN 138 Ca 0.11 -2.93 -0.18 0.00 -0.03 0.00 0.00 54.58 51.55 2gk3 n ASN 138 Cb 0.33 -0.72 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 2gk3 n ASN 138 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2gk3 s THR 139 N -1.93 0.81 -0.25 3.41 -4.23 -0.57 -5.03 115.64 107.85 2gk3 s THR 139 Ca 0.32 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 59.10 2gk3 s THR 139 Cb 0.27 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.81 2gk3 s THR 139 CO 0.06 -0.09 1.81 -0.37 -0.54 0.00 0.00 174.62 175.48 2gk3 h VAL 140 N 2.35 0.00 0.00 2.29 -1.51 -1.90 -2.15 116.25 115.33 2gk3 h VAL 140 Ca -0.39 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2gk3 h VAL 140 Cb 1.24 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2gk3 h VAL 140 CO 0.64 0.00 0.00 0.25 -1.23 0.00 0.00 177.57 177.23 2gk3 h LEU 141 N 0.00 0.00 -0.43 4.19 5.85 -1.86 -3.34 115.31 119.73 2gk3 h LEU 141 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2gk3 h LEU 141 Cb 0.35 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2gk3 h LEU 141 CO 0.00 0.00 -0.12 0.00 -0.34 0.00 0.00 178.44 177.98 2gk3 h ALA 142 N 2.39 0.26 0.00 1.25 0.00 -1.50 -2.00 119.26 119.66 2gk3 h ALA 142 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2gk3 h ALA 142 Cb 0.73 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gk3 h ALA 142 CO 0.00 -0.47 -0.01 0.93 0.00 0.00 0.00 179.25 179.71 2gk3 h GLU 143 N -0.02 0.00 -0.02 0.00 4.39 -1.80 -2.67 114.58 114.47 2gk3 h GLU 143 Ca 0.21 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 2gk3 h GLU 143 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2gk3 h GLU 143 CO -0.45 0.01 -0.69 0.28 -1.16 0.00 0.00 179.01 176.99 2gk3 h VAL 144 N 0.00 1.46 -3.75 3.13 2.07 -1.58 -3.47 116.25 114.12 2gk3 h VAL 144 Ca -0.00 -2.29 -0.49 0.00 0.82 0.00 0.00 66.70 64.74 2gk3 h VAL 144 Cb 0.03 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2gk3 h VAL 144 CO 0.00 0.66 0.19 -0.76 0.02 0.00 0.00 177.57 177.68 2gk3 s LEU 145 N -7.58 4.20 0.00 2.57 1.43 -1.01 -4.75 118.68 113.54 2gk3 s LEU 145 Ca -0.02 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2gk3 s LEU 145 Cb 0.12 -3.96 0.25 0.00 0.03 0.00 0.00 46.19 42.64 2gk3 s LEU 145 CO 0.79 -0.11 1.03 -0.81 0.23 0.00 0.00 176.35 177.48 2gk3 n PRO 146 N 0.18 0.86 -4.39 1.29 -0.04 -1.26 -4.81 135.00 126.83 2gk3 n PRO 146 Ca 0.02 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.24 2gk3 n PRO 146 Cb 0.52 -1.08 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 2gk3 n PRO 146 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2gk3 s VAL 147 N -2.00 2.10 0.47 0.52 -7.23 -1.26 -0.73 120.40 112.27 2gk3 s VAL 147 Ca 0.06 -2.10 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 2gk3 s VAL 147 Cb 0.03 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2gk3 s VAL 147 CO 0.05 -0.31 0.38 -0.63 -0.31 0.00 0.00 175.10 174.28 2gk3 s ILE 148 N -2.16 2.21 0.29 -0.62 1.01 0.52 -4.78 121.20 117.67 2gk3 s ILE 148 Ca 0.21 -1.43 0.07 0.00 0.00 0.00 0.00 60.65 59.51 2gk3 s ILE 148 Cb -0.06 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2gk3 s ILE 148 CO 0.09 0.00 0.23 -0.76 0.00 0.00 0.00 174.94 174.51 2gk3 s LEU 150 N -4.19 3.70 0.40 2.97 1.43 -1.26 0.14 118.68 121.87 2gk3 s LEU 150 Ca 0.43 -0.37 0.24 0.00 -1.03 0.00 0.00 54.13 53.41 2gk3 s LEU 150 Cb -0.02 -2.27 0.53 0.00 0.03 0.00 0.00 46.19 44.46 2gk3 s LEU 150 CO 0.25 -0.17 1.68 0.44 0.23 0.00 0.00 176.35 178.78 2gk3 h ASP 151 N 1.40 0.00 -0.42 2.29 3.32 -2.03 -3.48 116.42 117.50 2gk3 h ASP 151 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2gk3 h ASP 151 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2gk3 h ASP 151 CO 0.60 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 2gk3 n GLY 152 N 1.04 6.28 3.69 2.75 0.00 -1.26 -5.05 105.19 112.64 2gk3 n GLY 152 Ca 0.04 -1.83 -0.51 0.00 0.00 0.00 0.00 46.02 43.73 2gk3 n GLY 152 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gk3 n ASP 153 N 0.00 3.18 -1.22 1.61 -0.08 -1.26 -4.62 116.55 114.16 2gk3 n ASP 153 Ca 0.00 1.00 0.08 0.00 -1.51 0.00 0.00 54.79 54.36 2gk3 n ASP 153 Cb 0.00 -1.31 0.30 0.00 2.34 0.00 0.00 41.12 42.45 2gk3 n ASP 153 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2gk3 n ASP 154 N 6.30 4.36 -4.75 1.67 5.68 -1.23 -4.95 116.55 123.64 2gk3 n ASP 154 Ca 0.24 -2.78 -0.40 0.00 -0.50 0.00 0.00 54.79 51.34 2gk3 n ASP 154 Cb 0.25 -0.55 -0.04 0.00 -1.14 0.00 0.00 41.12 39.64 2gk3 n ASP 154 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2gk3 s ARG 155 N -2.43 4.64 -0.25 0.11 0.52 -1.26 -0.19 118.95 120.09 2gk3 s ARG 155 Ca 0.44 1.78 -0.01 0.00 -0.52 0.00 0.00 55.73 57.43 2gk3 s ARG 155 Cb 0.33 -3.21 0.03 0.00 0.52 0.00 0.00 34.95 32.62 2gk3 s ARG 155 CO 0.14 0.19 -0.07 0.08 0.02 0.00 0.00 175.30 175.67 2gk3 s VAL 156 N -0.98 2.77 -0.14 3.52 1.01 0.68 -4.84 120.40 122.42 2gk3 s VAL 156 Ca 0.45 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 2gk3 s VAL 156 Cb -0.31 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2gk3 s VAL 156 CO 0.40 0.17 0.54 -1.61 0.00 0.00 0.00 175.10 174.59 2gk3 s GLU 157 N 1.29 4.29 -0.50 2.72 0.41 -1.26 -2.19 118.70 123.47 2gk3 s GLU 157 Ca -0.01 0.52 0.06 0.00 -0.41 0.00 0.00 54.97 55.13 2gk3 s GLU 157 Cb -0.17 -3.49 0.23 0.00 -1.78 0.00 0.00 34.13 28.92 2gk3 s GLU 157 CO -0.05 0.01 0.55 1.63 -0.49 0.00 0.00 175.26 176.91 2gk3 n LYS 158 N 4.18 1.28 0.29 1.61 4.76 0.12 -4.94 118.16 125.46 2gk3 n LYS 158 Ca -0.05 -3.78 0.17 0.00 -2.87 0.00 0.00 58.31 51.78 2gk3 n LYS 158 Cb 0.51 -1.72 0.96 0.00 -1.84 0.00 0.00 35.03 32.94 2gk3 n LYS 158 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2gk3 h PRO 159 N 4.49 0.00 0.00 1.97 0.13 -1.92 -0.05 132.00 136.63 2gk3 h PRO 159 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2gk3 h PRO 159 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2gk3 h PRO 159 CO 0.59 0.00 -0.15 -0.85 -0.23 0.00 0.00 178.00 177.35 2gk3 n GLU 160 N -3.61 0.17 0.00 0.86 0.00 -1.26 -4.99 120.64 111.81 2gk3 n GLU 160 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.25 2gk3 n GLU 160 Cb 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 29.93 2gk3 n GLU 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gk3 n GLY 161 N 1.39 -0.99 3.00 -1.84 0.00 -0.03 -5.08 105.19 101.64 2gk3 n GLY 161 Ca 0.06 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2gk3 n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gk3 s ILE 162 N -1.60 0.34 0.26 -0.61 -5.25 0.22 -4.89 121.20 109.67 2gk3 s ILE 162 Ca 0.00 -0.80 -0.30 0.00 -0.99 0.00 0.00 60.65 58.56 2gk3 s ILE 162 Cb 0.00 -0.41 -0.09 0.00 2.95 0.00 0.00 42.46 44.91 2gk3 s ILE 162 CO 0.00 -0.31 1.04 0.00 -1.79 0.00 0.00 174.94 173.88 2gk3 s ALA 164 N -1.14 2.79 0.01 0.00 0.00 -1.06 -4.39 121.76 117.97 2gk3 s ALA 164 Ca 0.43 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.60 2gk3 s ALA 164 Cb -0.30 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 2gk3 s ALA 164 CO 0.37 -1.15 -0.13 -1.21 0.00 0.00 0.00 175.76 173.64 2gk3 s GLU 165 N -2.94 1.00 -0.31 0.00 2.02 -0.17 -4.78 118.70 113.51 2gk3 s GLU 165 Ca 0.71 -0.60 -0.17 0.00 0.02 0.00 0.00 54.97 54.93 2gk3 s GLU 165 Cb -0.35 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 2gk3 s GLU 165 CO 0.41 0.26 0.47 0.00 0.02 0.00 0.00 175.26 176.42 2gk3 s ALA 166 N -0.56 3.53 -1.18 5.21 0.00 -1.26 -0.33 121.76 127.17 2gk3 s ALA 166 Ca 0.03 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.35 2gk3 s ALA 166 Cb -0.06 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2gk3 s ALA 166 CO 0.00 -0.95 1.08 1.33 0.00 0.00 0.00 175.76 177.22 2gk3 n VAL 167 N 5.27 0.00 -3.44 0.00 0.24 -0.79 -4.40 118.33 115.21 2gk3 n VAL 167 Ca -0.06 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.34 61.94 2gk3 n VAL 167 Cb 0.50 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.60 2gk3 n VAL 167 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2gk3 n SER 168 N -1.25 0.93 0.28 -1.34 7.64 -1.07 -4.98 113.62 113.82 2gk3 n SER 168 Ca 0.06 -2.76 0.19 0.00 1.01 0.00 0.00 58.87 57.36 2gk3 n SER 168 Cb 0.35 -0.63 0.99 0.00 -1.01 0.00 0.00 64.21 63.91 2gk3 n SER 168 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2gk3 h PRO 169 N 4.96 0.00 0.00 1.43 0.11 -1.85 -2.07 132.00 134.58 2gk3 h PRO 169 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 2gk3 h PRO 169 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2gk3 h PRO 169 CO 0.52 0.00 -0.91 1.05 -0.21 0.00 0.00 178.00 178.45 2gk3 h GLU 170 N 0.00 0.00 -6.33 1.05 9.09 -1.93 -3.29 114.58 113.16 2gk3 h GLU 170 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 2gk3 h GLU 170 Cb 0.01 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.18 2gk3 h GLU 170 CO 0.00 0.08 0.42 1.58 0.05 0.00 0.00 179.01 181.14 2gk3 n HIS 171 N -2.80 1.53 -0.36 2.06 -0.00 -0.78 -4.54 115.22 110.33 2gk3 n HIS 171 Ca -0.01 0.61 0.26 0.00 0.46 0.00 0.00 57.72 59.04 2gk3 n HIS 171 Cb 0.61 -2.34 0.52 0.00 -0.12 0.00 0.00 29.99 28.66 2gk3 n HIS 171 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2gk3 h PRO 172 N 4.22 0.30 -0.28 1.57 0.13 -1.91 0.22 132.00 136.25 2gk3 h PRO 172 Ca -0.46 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2gk3 h PRO 172 Cb 1.33 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2gk3 h PRO 172 CO 0.76 0.20 -0.19 0.28 -0.23 0.00 0.00 178.00 178.81 2gk3 h VAL 173 N 0.31 1.25 -0.01 1.56 2.07 -1.89 -3.27 116.25 116.27 2gk3 h VAL 173 Ca 0.71 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2gk3 h VAL 173 Cb 1.80 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2gk3 h VAL 173 CO -0.47 0.37 -0.22 1.33 0.02 0.00 0.00 177.57 178.61 2gk3 n VAL 174 N -4.16 0.00 -1.67 2.57 0.24 -0.15 -4.71 118.33 110.45 2gk3 n VAL 174 Ca 0.00 -0.39 -0.50 0.00 -2.04 0.00 0.00 64.34 61.41 2gk3 n VAL 174 Cb 0.37 1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.79 2gk3 n VAL 174 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2gk3 n ASN 175 N -0.35 2.86 0.00 -1.34 5.15 0.59 -1.70 115.26 120.46 2gk3 n ASN 175 Ca 0.04 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 2gk3 n ASN 175 Cb 0.19 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 2gk3 n ASN 175 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gk3 n GLY 176 N 3.77 0.99 3.76 8.20 0.00 -1.26 -5.04 105.19 115.61 2gk3 n GLY 176 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2gk3 n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gk3 s PHE 177 N -2.48 2.55 0.33 1.61 0.40 -0.69 -5.06 117.98 114.65 2gk3 s PHE 177 Ca 0.00 1.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 2gk3 s PHE 177 Cb 0.00 -3.25 0.03 0.00 0.51 0.00 0.00 43.02 40.31 2gk3 s PHE 177 CO 0.00 -1.80 0.69 -1.54 0.70 0.00 0.00 175.22 173.28 2gk3 s SER 178 N -2.25 -0.00 -1.23 1.36 1.04 -1.26 -5.01 113.70 106.34 2gk3 s SER 178 Ca 0.70 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 56.10 2gk3 s SER 178 Cb -0.23 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 2gk3 s SER 178 CO 0.38 -1.47 0.76 -0.67 0.98 0.00 0.00 173.24 173.22 2gk3 n ASP 179 N -0.95 -2.98 -4.78 7.02 2.03 -1.26 -4.88 116.55 110.75 2gk3 n ASP 179 Ca -0.05 -0.85 -0.41 0.00 0.52 0.00 0.00 54.79 54.00 2gk3 n ASP 179 Cb 0.60 -4.08 0.00 0.00 -0.72 0.00 0.00 41.12 36.92 2gk3 n ASP 179 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2gk3 s TYR 180 N -3.58 2.55 0.78 -0.67 1.51 -1.26 -4.98 117.35 111.70 2gk3 s TYR 180 Ca 0.18 1.20 -0.11 0.00 -1.01 0.00 0.00 57.07 57.34 2gk3 s TYR 180 Cb -0.05 -3.99 0.07 0.00 -0.11 0.00 0.00 41.96 37.88 2gk3 s TYR 180 CO 0.81 -2.96 1.14 -1.25 -1.11 0.00 0.00 175.55 172.18 2gk3 s PRO 181 N -2.20 2.08 0.06 -1.71 0.04 -1.26 -4.72 135.00 127.28 2gk3 s PRO 181 Ca 0.55 0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.47 2gk3 s PRO 181 Cb -0.46 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2gk3 s PRO 181 CO 0.61 -1.48 0.53 0.08 0.04 0.00 0.00 177.00 176.79 2gk3 s VAL 182 N -3.49 4.80 0.23 -0.36 1.01 -1.26 -2.58 120.40 118.76 2gk3 s VAL 182 Ca 0.61 1.13 0.11 0.00 0.00 0.00 0.00 61.98 63.83 2gk3 s VAL 182 Cb -0.11 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2gk3 s VAL 182 CO 0.48 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.61 2gk3 s PHE 183 N -1.11 2.40 -2.21 5.22 0.40 0.13 -4.28 117.98 118.54 2gk3 s PHE 183 Ca 0.28 -0.31 0.19 0.00 -0.60 0.00 0.00 56.93 56.50 2gk3 s PHE 183 Cb -0.19 -1.11 0.28 0.00 0.51 0.00 0.00 43.02 42.51 2gk3 s PHE 183 CO 0.18 0.60 1.23 1.28 0.70 0.00 0.00 175.22 179.21 2gk3 n LEU 184 N -0.27 2.96 0.00 -0.37 7.99 -0.55 -0.61 117.00 126.16 2gk3 n LEU 184 Ca -0.08 -1.32 0.00 0.00 -0.01 0.00 0.00 56.01 54.60 2gk3 n LEU 184 Cb 0.58 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 2gk3 n LEU 184 CO 0.35 0.60 0.00 0.61 -1.51 0.00 0.00 177.39 177.44 2gk3 n GLY 185 N 1.17 -0.35 3.53 -0.72 0.00 -1.26 0.15 105.19 107.71 2gk3 n GLY 185 Ca 0.14 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 2gk3 n GLY 185 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gk3 s TYR 186 N -2.00 -0.36 -0.19 1.61 -0.85 -0.93 -4.53 117.35 110.11 2gk3 s TYR 186 Ca 0.00 0.17 -0.27 0.00 -0.52 0.00 0.00 57.07 56.46 2gk3 s TYR 186 Cb 0.00 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.90 2gk3 s TYR 186 CO 0.00 -0.67 0.91 -0.80 -1.52 0.00 0.00 175.55 173.48 2gk3 s ASN 187 N -2.61 7.01 -0.11 -0.18 -0.87 -1.26 -0.23 114.94 116.69 2gk3 s ASN 187 Ca 0.05 1.26 -0.30 0.00 -1.57 0.00 0.00 52.86 52.30 2gk3 s ASN 187 Cb -0.01 -2.49 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 2gk3 s ASN 187 CO -0.08 -0.50 1.21 -1.58 -2.57 0.00 0.00 177.10 173.58 2gk3 s GLN 188 N 2.54 4.30 0.27 -0.60 0.74 0.74 -4.84 119.66 122.80 2gk3 s GLN 188 Ca 0.41 1.63 0.01 0.00 0.05 0.00 0.00 55.36 57.46 2gk3 s GLN 188 Cb -0.16 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 2gk3 s GLN 188 CO 0.11 -0.56 0.25 0.00 -0.55 0.00 0.00 175.29 174.54 2gk3 s ALA 189 N 2.79 1.32 -0.18 1.58 0.00 -1.26 -4.27 121.76 121.74 2gk3 s ALA 189 Ca 0.54 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2gk3 s ALA 189 Cb -0.22 1.38 0.01 0.00 0.00 0.00 0.00 23.12 24.29 2gk3 s ALA 189 CO 0.18 -0.66 -0.17 0.08 0.00 0.00 0.00 175.76 175.19 2gk3 s VAL 190 N -3.75 2.37 0.23 0.00 1.01 0.12 -4.35 120.40 116.04 2gk3 s VAL 190 Ca 0.38 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 61.20 2gk3 s VAL 190 Cb 0.04 -2.01 -0.12 0.00 0.00 0.00 0.00 36.38 34.28 2gk3 s VAL 190 CO 0.19 0.52 1.61 0.00 0.00 0.00 0.00 175.10 177.42 2gk3 n ALA 191 N 4.54 2.24 -1.70 5.51 0.00 -1.26 0.19 120.51 130.03 2gk3 n ALA 191 Ca -0.20 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 2gk3 n ALA 191 Cb 0.50 -2.44 0.07 0.00 0.00 0.00 0.00 19.45 17.59 2gk3 n ALA 191 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gk3 s ARG 192 N 0.39 2.52 0.35 0.00 0.52 0.09 -4.76 118.95 118.06 2gk3 s ARG 192 Ca 0.71 2.04 0.13 0.00 -0.52 0.00 0.00 55.73 58.09 2gk3 s ARG 192 Cb -0.56 -1.84 0.97 0.00 0.52 0.00 0.00 34.95 34.04 2gk3 s ARG 192 CO 0.41 -1.61 1.75 -0.44 0.02 0.00 0.00 175.30 175.42 2gk3 h ASP 193 N 0.49 0.59 -0.57 0.23 3.32 -1.92 -1.47 116.42 117.08 2gk3 h ASP 193 Ca -0.51 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2gk3 h ASP 193 Cb 1.33 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2gk3 h ASP 193 CO 0.53 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2gk3 n ASP 194 N -4.77 3.07 -4.96 6.45 5.68 -1.26 -4.97 116.55 115.78 2gk3 n ASP 194 Ca 0.26 -2.00 -0.20 0.00 -0.50 0.00 0.00 54.79 52.35 2gk3 n ASP 194 Cb 0.79 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 2gk3 n ASP 194 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gk3 s ALA 195 N -1.24 4.08 -0.31 2.12 0.00 -0.56 -4.90 121.76 120.94 2gk3 s ALA 195 Ca 0.38 -1.41 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2gk3 s ALA 195 Cb 0.20 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2gk3 s ALA 195 CO 0.26 0.07 0.13 -0.51 0.00 0.00 0.00 175.76 175.71 2gk3 s ASP 196 N -4.08 5.42 -0.37 0.00 1.01 0.15 -4.92 116.67 113.89 2gk3 s ASP 196 Ca 0.41 -0.64 -0.25 0.00 0.71 0.00 0.00 52.55 52.78 2gk3 s ASP 196 Cb -0.09 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2gk3 s ASP 196 CO 0.30 -0.21 0.90 -0.69 0.21 0.00 0.00 175.17 175.67 2gk3 s VAL 197 N 1.57 4.61 -0.21 -1.27 1.01 -1.26 -1.13 120.40 123.73 2gk3 s VAL 197 Ca 0.04 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 2gk3 s VAL 197 Cb -0.17 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 2gk3 s VAL 197 CO 0.05 -0.51 0.06 0.52 0.00 0.00 0.00 175.10 175.22 2gk3 n VAL 198 N 5.93 1.60 -4.30 2.92 0.31 0.35 -4.50 118.33 120.64 2gk3 n VAL 198 Ca 0.06 -0.38 -0.24 0.00 -0.01 0.00 0.00 64.34 63.77 2gk3 n VAL 198 Cb 0.48 -1.81 -0.12 0.00 -0.91 0.00 0.00 33.84 31.48 2gk3 n VAL 198 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gk3 s LEU 199 N -7.32 2.33 0.29 7.52 1.43 -1.05 -1.88 118.68 120.01 2gk3 s LEU 199 Ca -0.30 -0.72 0.09 0.00 -1.03 0.00 0.00 54.13 52.16 2gk3 s LEU 199 Cb 0.09 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 2gk3 s LEU 199 CO 0.62 0.05 -0.11 0.42 0.23 0.00 0.00 176.35 177.57 2gk3 s THR 200 N -1.32 2.00 -0.11 5.49 -4.23 0.55 -0.11 115.64 117.91 2gk3 s THR 200 Ca 0.09 -2.21 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 2gk3 s THR 200 Cb -0.09 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.37 2gk3 s THR 200 CO 0.05 -0.32 0.19 -0.51 -0.54 0.00 0.00 174.62 173.48 2gk3 s ILE 201 N -2.79 -0.29 -1.47 2.99 2.07 0.32 -1.00 121.20 121.02 2gk3 s ILE 201 Ca 0.30 0.27 -0.11 0.00 -1.41 0.00 0.00 60.65 59.69 2gk3 s ILE 201 Cb 0.01 -0.38 0.06 0.00 0.13 0.00 0.00 42.46 42.28 2gk3 s ILE 201 CO 0.13 0.09 0.92 -3.20 -1.91 0.00 0.00 174.94 170.97 2gk3 n ASN 202 N 5.33 -5.25 0.00 4.50 5.15 -1.26 -0.54 115.26 123.18 2gk3 n ASN 202 Ca -0.05 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 2gk3 n ASN 202 Cb 0.50 -4.20 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 2gk3 n ASN 202 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2gk3 n ASN 203 N -2.76 0.00 -4.88 1.20 3.02 -1.26 -4.99 115.26 105.58 2gk3 n ASN 203 Ca 0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.26 2gk3 n ASN 203 Cb 0.55 -1.44 0.02 0.00 -0.61 0.00 0.00 39.78 38.29 2gk3 n ASN 203 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2gk3 s ASP 204 N -2.42 6.04 0.32 6.41 1.01 0.30 -5.01 116.67 123.32 2gk3 s ASP 204 Ca 0.00 1.20 -0.29 0.00 0.71 0.00 0.00 52.55 54.17 2gk3 s ASP 204 Cb 0.00 -2.26 -0.10 0.00 1.01 0.00 0.00 42.92 41.57 2gk3 s ASP 204 CO 0.00 -0.91 1.33 -2.16 0.21 0.00 0.00 175.17 173.64 2gk3 s PRO 205 N -5.10 4.33 -0.10 8.23 0.04 -1.26 -0.52 135.00 140.62 2gk3 s PRO 205 Ca 0.54 2.24 -0.05 0.00 0.04 0.00 0.00 61.00 63.76 2gk3 s PRO 205 Cb -0.11 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2gk3 s PRO 205 CO 0.51 -0.24 -0.13 -0.11 0.04 0.00 0.00 177.00 177.07 2gk3 n LEU 206 N 1.06 0.75 -4.08 -3.56 7.94 0.84 -4.62 117.00 115.33 2gk3 n LEU 206 Ca 0.01 0.13 -0.31 0.00 -1.11 0.00 0.00 56.01 54.73 2gk3 n LEU 206 Cb 0.41 -0.31 -0.16 0.00 0.53 0.00 0.00 43.42 43.90 2gk3 n LEU 206 CO 0.59 0.17 -0.51 -0.22 -1.11 0.00 0.00 177.39 176.31 2gk3 s LEU 207 N -6.59 1.90 -0.02 -1.96 2.96 -0.80 -4.22 118.68 109.95 2gk3 s LEU 207 Ca -0.14 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.24 2gk3 s LEU 207 Cb 0.05 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.43 2gk3 s LEU 207 CO 0.18 -0.01 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.41 2gk3 s VAL 208 N 1.30 0.76 0.13 1.68 1.01 -0.91 -0.49 120.40 123.88 2gk3 s VAL 208 Ca 0.03 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2gk3 s VAL 208 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2gk3 s VAL 208 CO -0.10 0.23 -0.25 -0.36 0.00 0.00 0.00 175.10 174.62 2gk3 s PHE 209 N 0.10 2.19 0.02 5.22 0.08 -0.28 -1.46 117.98 123.85 2gk3 s PHE 209 Ca -0.02 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 2gk3 s PHE 209 Cb -0.07 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2gk3 s PHE 209 CO 0.00 0.33 0.05 0.41 -0.10 0.00 0.00 175.22 175.91 2gk3 n GLY 210 N 0.84 1.63 3.07 4.36 0.00 0.29 -0.68 105.19 114.70 2gk3 n GLY 210 Ca -0.17 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 2gk3 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gk3 s GLU 211 N -2.00 0.59 -0.31 1.61 2.02 -1.26 0.92 118.70 120.26 2gk3 s GLU 211 Ca 0.01 -0.69 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 2gk3 s GLU 211 Cb -0.00 -0.45 0.12 0.00 0.10 0.00 0.00 34.13 33.90 2gk3 s GLU 211 CO 0.00 0.10 0.18 -0.47 0.02 0.00 0.00 175.26 175.09 2gk3 s TYR 212 N -1.11 0.36 0.00 1.61 5.04 0.50 -4.89 117.35 118.86 2gk3 s TYR 212 Ca -0.06 -1.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 2gk3 s TYR 212 Cb -0.09 -0.85 0.00 0.00 0.35 0.00 0.00 41.96 41.37 2gk3 s TYR 212 CO 0.01 -0.84 0.00 1.04 -1.34 0.00 0.00 175.55 174.41 2gk3 n GLN 213 N 4.84 0.00 0.02 4.97 6.02 -1.26 -2.21 117.38 129.77 2gk3 n GLN 213 Ca 0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.13 2gk3 n GLN 213 Cb 0.41 0.00 0.46 0.00 1.02 0.00 0.00 30.24 32.12 2gk3 n GLN 213 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2gk3 n GLN 214 N 4.54 0.07 -3.78 -1.09 6.02 -0.84 -4.90 117.38 117.40 2gk3 n GLN 214 Ca 0.00 0.05 -0.27 0.00 -0.01 0.00 0.00 57.00 56.77 2gk3 n GLN 214 Cb 0.00 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 2gk3 n GLN 214 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2gk3 s GLY 215 N -3.16 1.74 0.02 1.08 0.00 -0.64 -4.04 107.32 102.31 2gk3 s GLY 215 Ca 0.12 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2gk3 s GLY 215 CO 0.60 -0.88 0.03 0.54 0.00 0.00 0.00 173.10 173.38 2gk3 s LYS 216 N -3.33 2.84 0.12 2.90 -0.14 -1.24 -0.37 119.74 120.52 2gk3 s LYS 216 Ca 0.37 -0.61 0.06 0.00 -1.36 0.00 0.00 55.97 54.43 2gk3 s LYS 216 Cb -0.11 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2gk3 s LYS 216 CO 0.29 0.62 -0.16 0.95 -0.76 0.00 0.00 175.35 176.29 2gk3 s THR 217 N -1.17 1.41 -0.03 2.17 -4.23 0.26 -2.03 115.64 112.02 2gk3 s THR 217 Ca 0.22 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 2gk3 s THR 217 Cb -0.12 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.24 2gk3 s THR 217 CO 0.13 -0.32 0.24 0.00 -0.54 0.00 0.00 174.62 174.13 2gk3 s ALA 218 N -1.85 -0.60 -0.09 3.99 0.00 0.20 -0.55 121.76 122.87 2gk3 s ALA 218 Ca 0.08 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2gk3 s ALA 218 Cb -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2gk3 s ALA 218 CO 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 175.76 175.49 2gk3 n PHE 220 N 4.41 -1.79 0.00 0.00 7.35 -1.26 -2.15 117.46 124.02 2gk3 n PHE 220 Ca -0.18 -2.15 0.00 0.00 -0.76 0.00 0.00 57.45 54.36 2gk3 n PHE 220 Cb 0.51 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.82 2gk3 n PHE 220 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2gk3 n SER 222 N -2.19 0.00 -4.92 -2.13 2.88 -1.26 -0.07 113.62 105.93 2gk3 n SER 222 Ca 0.11 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.36 2gk3 n SER 222 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 2gk3 n SER 222 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gk3 s ASP 223 N 0.00 6.39 0.08 -3.46 -1.08 -1.25 -1.46 116.67 115.90 2gk3 s ASP 223 Ca 0.00 0.36 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 2gk3 s ASP 223 Cb 0.00 -1.99 0.81 0.00 -1.46 0.00 0.00 42.92 40.27 2gk3 s ASP 223 CO 0.00 0.03 1.67 0.00 0.52 0.00 0.00 175.17 177.40 2gk3 s SER 225 N -3.67 2.11 0.92 0.00 0.01 -1.26 -4.85 113.70 106.95 2gk3 s SER 225 Ca 0.11 -1.46 -0.11 0.00 1.31 0.00 0.00 55.95 55.79 2gk3 s SER 225 Cb 0.16 0.16 0.14 0.00 0.21 0.00 0.00 66.02 66.69 2gk3 s SER 225 CO 0.62 -0.74 1.09 -2.84 0.41 0.00 0.00 173.24 171.78 2gk3 s PRO 226 N -3.88 1.07 0.35 12.44 0.02 -0.97 -0.26 135.00 143.76 2gk3 s PRO 226 Ca 0.34 0.98 0.20 0.00 0.02 0.00 0.00 61.00 62.53 2gk3 s PRO 226 Cb 0.07 -1.77 0.20 0.00 0.02 0.00 0.00 34.50 33.01 2gk3 s PRO 226 CO 0.15 -2.42 1.47 1.12 -0.33 0.00 0.00 177.00 177.00 2gk3 h HIS 227 N -1.68 0.00 0.05 6.54 2.07 -2.00 -3.43 115.15 116.68 2gk3 h HIS 227 Ca -0.49 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2gk3 h HIS 227 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2gk3 h HIS 227 CO 0.44 0.20 -0.02 -1.49 -3.07 0.00 0.00 177.93 173.98 2gk3 h TRP 228 N 0.00 -0.06 -2.62 6.12 6.55 -1.90 -3.36 115.95 120.68 2gk3 h TRP 228 Ca -0.01 -0.00 -0.54 0.00 0.95 0.00 0.00 58.89 59.29 2gk3 h TRP 228 Cb 1.16 0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 29.42 2gk3 h TRP 228 CO 0.00 0.20 1.14 0.20 -1.05 0.00 0.00 178.44 178.94 2gk3 s GLY 229 N -2.68 0.78 1.19 1.49 0.00 0.64 -1.48 107.32 107.24 2gk3 s GLY 229 Ca -0.15 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.68 2gk3 s GLY 229 CO 0.65 2.90 1.07 -0.51 0.00 0.00 0.00 173.10 177.21 2gk3 s THR 230 N 6.53 1.68 0.11 0.90 -4.23 -1.26 -2.30 115.64 117.07 2gk3 s THR 230 Ca 0.54 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.87 2gk3 s THR 230 Cb -0.11 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2gk3 s THR 230 CO 0.23 0.00 1.66 1.56 -0.54 0.00 0.00 174.62 177.53 2gk3 h GLN 231 N -2.56 0.46 -0.94 3.99 1.08 -1.92 -2.94 115.11 112.29 2gk3 h GLN 231 Ca -0.49 -0.09 0.14 0.00 -1.45 0.00 0.00 58.65 56.76 2gk3 h GLN 231 Cb 1.32 -0.07 -0.09 0.00 -0.05 0.00 0.00 27.48 28.58 2gk3 h GLN 231 CO 0.41 0.48 0.56 0.37 -0.95 0.00 0.00 178.83 179.69 2gk3 h GLN 232 N 0.35 0.81 -0.80 1.46 4.15 -1.93 -1.67 115.11 117.48 2gk3 h GLN 232 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2gk3 h GLN 232 Cb 0.19 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2gk3 h GLN 232 CO -0.01 0.53 0.00 0.34 -1.93 0.00 0.00 178.83 177.76 2gk3 n PHE 233 N -4.73 0.00 0.00 3.99 7.35 -1.11 -2.18 117.46 120.78 2gk3 n PHE 233 Ca 0.19 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2gk3 n PHE 233 Cb 0.41 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.17 2gk3 n PHE 233 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2gk3 n SER 235 N 0.51 0.00 -4.75 -2.13 3.41 -0.63 -4.69 113.62 105.34 2gk3 n SER 235 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2gk3 n SER 235 Cb 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2gk3 n SER 235 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2gk3 s TRP 236 N 0.00 3.39 0.45 7.33 -0.00 -0.93 -4.95 118.94 124.23 2gk3 s TRP 236 Ca 0.00 1.51 0.17 0.00 -0.00 0.00 0.00 56.10 57.78 2gk3 s TRP 236 Cb 0.00 -3.44 1.10 0.00 -0.00 0.00 0.00 33.47 31.13 2gk3 s TRP 236 CO 0.00 -1.16 1.94 -1.35 -0.00 0.00 0.00 176.95 176.39 2gk3 h PRO 237 N 4.33 0.34 -0.22 5.86 0.11 -1.90 -2.22 132.00 138.30 2gk3 h PRO 237 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2gk3 h PRO 237 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2gk3 h PRO 237 CO 0.70 0.22 0.00 1.19 -0.21 0.00 0.00 178.00 179.90 2gk3 n PHE 238 N -4.46 0.28 -0.01 0.65 3.72 -1.26 -4.52 117.46 111.86 2gk3 n PHE 238 Ca 0.13 -0.14 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2gk3 n PHE 238 Cb 0.51 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 2gk3 n PHE 238 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2gk3 h TYR 239 N 3.00 -0.73 -0.10 1.38 3.20 -1.67 0.35 116.97 122.40 2gk3 h TYR 239 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2gk3 h TYR 239 Cb 0.66 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 2gk3 h TYR 239 CO 0.14 -0.35 0.02 1.15 -1.64 0.00 0.00 178.16 177.48 2gk3 h THR 240 N -0.33 1.21 -0.42 1.81 2.02 -1.81 -2.91 112.91 112.47 2gk3 h THR 240 Ca 0.10 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.72 2gk3 h THR 240 Cb 0.49 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.27 2gk3 h THR 240 CO -0.34 0.19 -0.13 0.44 0.37 0.00 0.00 175.52 176.05 2gk3 h ASP 241 N -0.05 -0.46 -0.37 4.18 3.32 -1.77 0.37 116.42 121.63 2gk3 h ASP 241 Ca 0.03 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.29 2gk3 h ASP 241 Cb 0.28 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 2gk3 h ASP 241 CO 0.00 -0.16 -0.40 0.25 -1.72 0.00 0.00 179.24 177.21 2gk3 h LEU 242 N -0.03 -1.33 -0.01 1.55 5.85 -0.18 0.50 115.31 121.65 2gk3 h LEU 242 Ca 0.20 0.21 -0.18 0.00 0.84 0.00 0.00 57.88 58.96 2gk3 h LEU 242 Cb 0.34 0.59 0.01 0.00 0.37 0.00 0.00 40.66 41.97 2gk3 h LEU 242 CO -0.45 -0.36 -0.68 -0.50 -0.34 0.00 0.00 178.44 176.11 2gk3 h TRP 243 N -0.33 0.71 -0.00 1.25 4.06 -1.23 -2.13 115.95 118.29 2gk3 h TRP 243 Ca 0.14 -0.38 -0.00 0.00 2.06 0.00 0.00 58.89 60.71 2gk3 h TRP 243 Cb 0.58 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 2gk3 h TRP 243 CO -0.59 1.19 0.00 0.28 -3.56 0.00 0.00 178.44 175.77 2gk3 h VAL 244 N 0.03 1.04 -0.88 1.49 2.07 -0.16 -2.21 116.25 117.63 2gk3 h VAL 244 Ca -0.08 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.39 2gk3 h VAL 244 Cb 1.37 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 2gk3 h VAL 244 CO 0.13 0.03 0.54 0.78 0.02 0.00 0.00 177.57 179.08 2gk3 h ASN 245 N -0.05 0.83 0.21 0.57 4.21 -0.01 0.38 115.58 121.71 2gk3 h ASN 245 Ca 0.00 0.03 -0.15 0.00 1.21 0.00 0.00 56.30 57.39 2gk3 h ASN 245 Cb 0.05 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2gk3 h ASN 245 CO -0.00 0.51 -0.55 0.00 -1.29 0.00 0.00 177.43 176.09 2gk3 h THR 246 N 0.95 1.35 -0.32 2.81 1.03 -1.30 0.25 112.91 117.68 2gk3 h THR 246 Ca 0.40 -1.84 -0.08 0.00 -0.01 0.00 0.00 66.41 64.88 2gk3 h THR 246 Cb 0.25 1.86 -0.01 0.00 -1.07 0.00 0.00 68.15 69.19 2gk3 h THR 246 CO -0.20 0.56 -0.11 -0.07 -0.01 0.00 0.00 175.52 175.68 2gk3 h LEU 247 N 0.28 0.65 -0.87 0.00 3.38 -1.05 -2.72 115.31 114.98 2gk3 h LEU 247 Ca 0.00 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.59 2gk3 h LEU 247 Cb 1.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2gk3 h LEU 247 CO 0.09 0.89 0.56 -0.61 0.09 0.00 0.00 178.44 179.46 2gk3 h GLN 248 N 0.40 1.15 -0.44 1.13 5.75 -0.76 -1.32 115.11 121.02 2gk3 h GLN 248 Ca 0.08 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 2gk3 h GLN 248 Cb 0.62 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2gk3 h GLN 248 CO 0.04 0.77 0.02 0.35 -2.65 0.00 0.00 178.83 177.36 2gk3 h PHE 249 N 1.18 0.73 -0.17 3.99 3.57 -0.35 -3.15 116.94 122.73 2gk3 h PHE 249 Ca 0.32 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2gk3 h PHE 249 Cb -0.12 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.42 2gk3 h PHE 249 CO -0.01 0.67 0.00 0.44 -2.23 0.00 0.00 178.31 177.19 2gk3 n ILE 250 N -4.25 0.25 -1.79 1.41 -5.35 -1.04 -5.02 119.36 103.57 2gk3 n ILE 250 Ca 0.02 -0.62 -0.37 0.00 -0.27 0.00 0.00 62.75 61.52 2gk3 n ILE 250 Cb 0.27 1.18 0.06 0.00 -1.74 0.00 0.00 39.64 39.41 2gk3 n ILE 250 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gk3 s ALA 251 N -1.47 2.40 0.08 -1.28 0.00 -0.52 -3.82 121.76 117.15 2gk3 s ALA 251 Ca 0.27 1.15 -0.37 0.00 0.00 0.00 0.00 51.96 53.01 2gk3 s ALA 251 Cb 0.17 -3.53 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 2gk3 s ALA 251 CO 0.25 -1.52 1.19 -2.13 0.00 0.00 0.00 175.76 173.55 2gk3 n ARG 252 N -1.89 0.71 0.00 0.00 0.63 -0.75 -4.87 116.66 110.50 2gk3 n ARG 252 Ca 0.15 0.26 0.13 0.00 -0.92 0.00 0.00 57.85 57.47 2gk3 n ARG 252 Cb 0.49 -1.80 0.40 0.00 0.45 0.00 0.00 32.46 32.00 2gk3 n ARG 252 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48