#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 3.30 -0.13 1.96 2.47 -1.26 -1.12 119.74 124.95 2gk3 s LYS 9 Ca 0.00 -0.40 0.02 0.00 -1.56 0.00 0.00 55.97 54.02 2gk3 s LYS 9 Cb 0.00 -3.93 -0.00 0.00 -1.46 0.00 0.00 37.83 32.43 2gk3 s LYS 9 CO 0.00 -0.94 -0.18 0.08 0.16 0.00 0.00 175.35 174.47 2gk3 s VAL 10 N 2.66 2.50 -0.34 4.02 1.01 0.06 0.63 120.40 130.95 2gk3 s VAL 10 Ca 0.21 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2gk3 s VAL 10 Cb -0.15 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2gk3 s VAL 10 CO 0.17 0.53 0.62 -0.22 0.00 0.00 0.00 175.10 176.21 2gk3 s LEU 11 N 0.58 4.22 -0.32 3.92 0.20 -0.67 -0.43 118.68 126.17 2gk3 s LEU 11 Ca -0.11 0.23 -0.05 0.00 0.69 0.00 0.00 54.13 54.90 2gk3 s LEU 11 Cb -0.16 -2.77 0.04 0.00 -0.43 0.00 0.00 46.19 42.86 2gk3 s LEU 11 CO 0.04 -0.53 0.07 0.12 -0.29 0.00 0.00 176.35 175.75 2gk3 s PHE 12 N 2.63 3.23 -0.12 5.38 5.36 0.12 -0.26 117.98 134.32 2gk3 s PHE 12 Ca 0.24 -1.47 -0.02 0.00 -0.96 0.00 0.00 56.93 54.72 2gk3 s PHE 12 Cb -0.15 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 2gk3 s PHE 12 CO 0.13 -0.72 -0.04 0.42 -1.46 0.00 0.00 175.22 173.55 2gk3 s ILE 13 N 1.38 3.89 0.00 3.12 1.01 0.25 -4.39 121.20 126.45 2gk3 s ILE 13 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2gk3 s ILE 13 Cb -0.19 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.61 2gk3 s ILE 13 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2gk3 n GLY 14 N 3.03 0.47 4.18 6.18 0.00 -1.26 -1.63 105.19 116.17 2gk3 n GLY 14 Ca -0.18 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.37 -3.97 1.61 -0.58 -0.20 -4.21 120.64 109.92 2gk3 n GLU 15 Ca 0.00 0.39 -0.12 0.00 -0.42 0.00 0.00 57.16 57.02 2gk3 n GLU 15 Cb 0.00 -5.09 -0.13 0.00 -0.57 0.00 0.00 31.44 25.66 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 -3.37 0.28 -0.05 1.62 1.04 -1.26 0.69 113.70 112.64 2gk3 s SER 16 Ca 0.68 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.67 2gk3 s SER 16 Cb -0.37 0.03 0.04 0.00 0.10 0.00 0.00 66.02 65.82 2gk3 s SER 16 CO 0.92 -0.13 0.41 -1.66 0.98 0.00 0.00 173.24 173.76 2gk3 s TRP 17 N -0.72 -0.34 -0.23 5.02 -2.14 -0.76 -4.73 118.94 115.05 2gk3 s TRP 17 Ca -0.07 0.63 -0.07 0.00 2.66 0.00 0.00 56.10 59.25 2gk3 s TRP 17 Cb -0.05 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.46 2gk3 s TRP 17 CO -0.00 -0.40 0.06 -1.58 -2.66 0.00 0.00 176.95 172.37 2gk3 s HIS 18 N -0.97 3.12 -0.20 1.66 2.46 -1.26 -1.30 115.29 118.80 2gk3 s HIS 18 Ca -0.10 -0.28 -0.12 0.00 0.47 0.00 0.00 55.06 55.03 2gk3 s HIS 18 Cb -0.04 -2.18 -0.05 0.00 -0.13 0.00 0.00 32.58 30.18 2gk3 s HIS 18 CO 0.05 -0.21 0.21 0.42 -2.47 0.00 0.00 174.74 172.74 2gk3 s ILE 19 N 1.23 5.35 0.53 0.89 1.01 -0.57 -4.98 121.20 124.66 2gk3 s ILE 19 Ca 0.05 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.08 2gk3 s ILE 19 Cb -0.14 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.83 2gk3 s ILE 19 CO 0.03 0.38 0.43 1.57 0.00 0.00 0.00 174.94 177.36 2gk3 n HIS 20 N 3.83 -0.79 -3.25 3.97 -0.00 -1.26 -1.56 115.22 116.16 2gk3 n HIS 20 Ca -0.14 -2.22 0.04 0.00 -0.00 0.00 0.00 57.72 55.40 2gk3 n HIS 20 Cb 0.52 -0.44 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 2gk3 n HIS 20 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2gk3 s ILE 22 N -2.61 -0.64 -0.44 3.57 1.01 -1.26 -5.02 121.20 115.81 2gk3 s ILE 22 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 2gk3 s ILE 22 Cb -0.03 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.48 2gk3 s ILE 22 CO 0.21 0.00 0.43 -1.00 0.00 0.00 0.00 174.94 174.58 2gk3 s HIS 23 N 2.81 3.18 -0.25 3.97 3.76 -0.00 -4.99 115.29 123.77 2gk3 s HIS 23 Ca 0.05 -0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 2gk3 s HIS 23 Cb -0.11 -2.99 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 2gk3 s HIS 23 CO -0.16 -0.75 0.25 -1.12 -0.85 0.00 0.00 174.74 172.10 2gk3 s SER 24 N 2.10 6.16 -0.42 1.40 0.01 -1.26 -2.37 113.70 119.32 2gk3 s SER 24 Ca 0.09 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.54 2gk3 s SER 24 Cb -0.19 -2.15 0.12 0.00 0.21 0.00 0.00 66.02 64.00 2gk3 s SER 24 CO 0.11 -0.04 0.17 -0.54 0.41 0.00 0.00 173.24 173.34 2gk3 s LYS 25 N 1.54 1.47 7.26 12.44 1.02 0.83 -5.00 119.74 139.29 2gk3 s LYS 25 Ca 0.10 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 54.08 2gk3 s LYS 25 Cb -0.15 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 2gk3 s LYS 25 CO 0.08 -1.05 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 2gk3 n GLY 26 N 3.81 2.34 0.29 -3.33 0.00 -1.26 -2.52 105.19 104.52 2gk3 n GLY 26 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 0.77 -2.46 1.61 3.20 -2.02 -3.46 116.97 114.60 2gk3 h TYR 27 Ca 0.00 -0.09 -0.46 0.00 3.14 0.00 0.00 58.73 61.32 2gk3 h TYR 27 Cb 0.00 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.06 2gk3 h TYR 27 CO 0.00 0.70 -0.24 -0.51 -1.64 0.00 0.00 178.16 176.47 2gk3 s ASP 28 N -6.65 6.11 0.04 -2.11 1.01 -1.05 -5.12 116.67 108.90 2gk3 s ASP 28 Ca -0.09 0.20 -0.14 0.00 0.71 0.00 0.00 52.55 53.23 2gk3 s ASP 28 Cb 0.15 -1.70 0.02 0.00 1.01 0.00 0.00 42.92 42.40 2gk3 s ASP 28 CO 0.80 -0.39 0.30 -0.94 0.21 0.00 0.00 175.17 175.15 2gk3 s SER 29 N -4.10 -0.12 0.22 0.27 1.04 -1.26 -0.12 113.70 109.62 2gk3 s SER 29 Ca 0.42 -0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.75 2gk3 s SER 29 Cb -0.10 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2gk3 s SER 29 CO 0.34 -0.60 -0.16 0.72 0.98 0.00 0.00 173.24 174.52 2gk3 s PHE 30 N -2.49 1.81 0.12 5.02 -0.12 -1.00 -4.97 117.98 116.36 2gk3 s PHE 30 Ca -0.05 -0.53 0.10 0.00 -0.05 0.00 0.00 56.93 56.40 2gk3 s PHE 30 Cb -0.01 -0.83 -0.04 0.00 -0.63 0.00 0.00 43.02 41.51 2gk3 s PHE 30 CO -0.03 0.42 -0.24 0.95 -0.05 0.00 0.00 175.22 176.27 2gk3 s THR 31 N -2.85 2.45 0.00 -4.49 -4.23 -1.26 -0.82 115.64 104.44 2gk3 s THR 31 Ca 0.23 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 2gk3 s THR 31 Cb -0.02 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 2gk3 s THR 31 CO 0.08 0.12 -0.12 -0.94 -0.54 0.00 0.00 174.62 173.22 2gk3 s SER 32 N -2.01 1.37 0.07 3.99 1.04 -1.26 -5.01 113.70 111.89 2gk3 s SER 32 Ca 0.15 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.38 2gk3 s SER 32 Cb -0.10 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 2gk3 s SER 32 CO 0.07 0.10 -0.20 -0.44 0.98 0.00 0.00 173.24 173.75 2gk3 s SER 33 N -0.52 2.45 -0.02 7.02 0.01 -1.26 -4.60 113.70 116.79 2gk3 s SER 33 Ca 0.03 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.61 2gk3 s SER 33 Cb -0.05 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.02 2gk3 s SER 33 CO -0.00 0.10 0.16 -0.75 0.41 0.00 0.00 173.24 173.15 2gk3 s LYS 34 N -1.56 0.40 -0.06 12.44 2.20 -0.60 -5.02 119.74 127.54 2gk3 s LYS 34 Ca 0.06 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2gk3 s LYS 34 Cb -0.09 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2gk3 s LYS 34 CO 0.03 -0.09 -0.24 -0.47 -0.36 0.00 0.00 175.35 174.22 2gk3 s TYR 35 N -0.91 2.37 0.09 4.03 5.04 -1.26 -1.51 117.35 125.21 2gk3 s TYR 35 Ca -0.10 -0.72 0.03 0.00 -2.44 0.00 0.00 57.07 53.84 2gk3 s TYR 35 Cb -0.05 -1.56 -0.04 0.00 0.35 0.00 0.00 41.96 40.66 2gk3 s TYR 35 CO 0.01 -0.22 -0.08 -1.21 -1.34 0.00 0.00 175.55 172.71 2gk3 s GLU 36 N -0.12 0.81 -0.03 4.97 2.02 -0.42 -5.02 118.70 120.91 2gk3 s GLU 36 Ca -0.04 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 53.81 2gk3 s GLU 36 Cb -0.14 -0.36 -0.01 0.00 0.10 0.00 0.00 34.13 33.72 2gk3 s GLU 36 CO 0.04 0.03 -0.23 -1.21 0.02 0.00 0.00 175.26 173.91 2gk3 s GLU 37 N -3.16 2.10 0.00 1.61 2.02 -1.26 -1.83 118.70 118.18 2gk3 s GLU 37 Ca 0.07 -0.84 0.15 0.00 0.02 0.00 0.00 54.97 54.38 2gk3 s GLU 37 Cb 0.00 -1.92 0.23 0.00 0.10 0.00 0.00 34.13 32.55 2gk3 s GLU 37 CO -0.02 0.44 1.12 0.41 0.02 0.00 0.00 175.26 177.23 2gk3 n GLY 38 N 2.71 1.01 2.13 -1.39 0.00 0.22 -4.66 105.19 105.21 2gk3 n GLY 38 Ca -0.16 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 0.90 5.64 0.18 4.61 0.00 -1.26 -4.73 120.51 125.84 2gk3 n ALA 39 Ca 0.12 -3.60 -0.13 0.00 0.00 0.00 0.00 53.44 49.83 2gk3 n ALA 39 Cb 0.43 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 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 1.54 0.00 0.00 0.00 2.02 -1.97 0.60 112.91 115.10 2gk3 h THR 40 Ca 0.48 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.63 2gk3 h THR 40 Cb 1.22 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2gk3 h THR 40 CO 1.15 0.00 -0.15 -0.25 0.37 0.00 0.00 175.52 176.64 2gk3 h TRP 41 N -0.68 0.00 0.03 3.16 -0.00 -1.93 -2.59 115.95 113.93 2gk3 h TRP 41 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2gk3 h TRP 41 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.77 2gk3 h TRP 41 CO -0.26 0.15 -0.01 1.25 -0.00 0.00 0.00 178.44 179.57 2gk3 h LEU 42 N 0.00 -0.03 -1.75 0.65 7.12 -1.68 -2.16 115.31 117.45 2gk3 h LEU 42 Ca -0.00 -0.65 -0.03 0.00 0.13 0.00 0.00 57.88 57.33 2gk3 h LEU 42 Cb 0.43 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.56 2gk3 h LEU 42 CO 0.02 0.76 -0.15 -0.07 -0.13 0.00 0.00 178.44 178.86 2gk3 h LEU 43 N -0.94 0.00 -0.00 2.25 3.38 -0.91 0.39 115.31 119.47 2gk3 h LEU 43 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gk3 h LEU 43 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2gk3 h LEU 43 CO 0.01 0.15 -0.01 -0.08 0.09 0.00 0.00 178.44 178.60 2gk3 h GLU 44 N 0.00 0.01 -0.93 1.13 4.81 -1.55 -2.39 114.58 115.66 2gk3 h GLU 44 Ca -0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2gk3 h GLU 44 Cb 0.41 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 2gk3 h GLU 44 CO 0.02 0.66 0.60 0.00 -0.73 0.00 0.00 179.01 179.56 2gk3 h LEU 46 N 0.86 0.82 -0.64 0.00 3.38 -0.95 -2.62 115.31 116.15 2gk3 h LEU 46 Ca 0.46 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2gk3 h LEU 46 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2gk3 h LEU 46 CO -0.22 1.27 -0.20 0.03 0.09 0.00 0.00 178.44 179.41 2gk3 h ARG 47 N 0.51 0.85 -0.00 1.13 3.08 -1.14 -1.82 114.38 116.98 2gk3 h ARG 47 Ca -0.02 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2gk3 h ARG 47 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2gk3 h ARG 47 CO 0.14 0.97 -0.00 1.63 -1.07 0.00 0.00 179.97 181.64 2gk3 n LYS 48 N -4.12 0.61 -0.09 0.04 5.02 -0.90 -3.15 118.16 115.57 2gk3 n LYS 48 Ca 0.00 -0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.37 2gk3 n LYS 48 Cb 0.43 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.07 2gk3 n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gk3 n GLY 49 N 1.20 1.12 0.50 0.72 0.00 -0.82 -4.97 105.19 102.95 2gk3 n GLY 49 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 1.06 0.71 3.74 -0.02 0.00 -1.11 -5.04 105.19 104.52 2gk3 n GLY 50 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.24 4.61 -0.53 1.61 1.01 -0.75 -4.55 120.40 119.55 2gk3 s VAL 51 Ca 0.00 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 2gk3 s VAL 51 Cb 0.00 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.24 2gk3 s VAL 51 CO 0.00 0.36 0.70 -0.62 0.00 0.00 0.00 175.10 175.54 2gk3 s ASP 52 N -0.13 6.24 -0.24 3.32 2.15 -0.28 -4.30 116.67 123.44 2gk3 s ASP 52 Ca 0.42 -0.87 -0.15 0.00 0.43 0.00 0.00 52.55 52.38 2gk3 s ASP 52 Cb -0.22 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2gk3 s ASP 52 CO 0.26 -1.00 0.36 -0.63 -0.17 0.00 0.00 175.17 174.00 2gk3 s ILE 53 N 2.93 5.20 -0.42 4.11 -1.09 -1.26 -0.76 121.20 129.92 2gk3 s ILE 53 Ca 0.18 0.60 -0.19 0.00 -2.23 0.00 0.00 60.65 59.01 2gk3 s ILE 53 Cb -0.18 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2gk3 s ILE 53 CO 0.13 0.22 0.53 -1.81 -1.23 0.00 0.00 174.94 172.77 2gk3 s ASP 54 N 1.31 6.26 0.89 3.58 1.11 0.43 -4.98 116.67 125.26 2gk3 s ASP 54 Ca 0.16 -0.46 -0.09 0.00 0.18 0.00 0.00 52.55 52.34 2gk3 s ASP 54 Cb -0.15 -2.27 0.16 0.00 1.07 0.00 0.00 42.92 41.73 2gk3 s ASP 54 CO 0.08 -0.65 0.98 0.00 1.18 0.00 0.00 175.17 176.76 2gk3 n TYR 55 N 5.88 -3.66 -4.05 4.23 9.36 -1.26 -0.71 117.16 126.95 2gk3 n TYR 55 Ca -0.05 -1.11 -0.11 0.00 3.32 0.00 0.00 57.90 59.95 2gk3 n TYR 55 Cb 0.48 -0.74 -0.11 0.00 -0.63 0.00 0.00 39.34 38.33 2gk3 n TYR 55 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2gk3 s PRO 57 N -5.07 0.50 0.31 2.98 0.02 -1.26 -4.94 135.00 127.53 2gk3 s PRO 57 Ca 0.58 -0.80 0.00 0.00 0.02 0.00 0.00 61.00 60.81 2gk3 s PRO 57 Cb -0.02 -0.15 0.72 0.00 0.02 0.00 0.00 34.50 35.06 2gk3 s PRO 57 CO 0.40 0.01 1.56 0.00 -0.33 0.00 0.00 177.00 178.64 2gk3 n ALA 58 N 1.28 0.47 0.26 -1.55 0.00 -1.26 -0.92 120.51 118.80 2gk3 n ALA 58 Ca -0.22 1.07 0.14 0.00 0.00 0.00 0.00 53.44 54.44 2gk3 n ALA 58 Cb 0.56 -0.76 0.70 0.00 0.00 0.00 0.00 19.45 19.95 2gk3 n ALA 58 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2gk3 h HIS 59 N 0.00 0.00 -0.04 0.00 -0.00 -1.97 -1.93 115.15 111.22 2gk3 h HIS 59 Ca 0.59 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.81 2gk3 h HIS 59 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 2gk3 h HIS 59 CO -0.55 0.11 -0.64 1.15 -0.00 0.00 0.00 177.93 178.00 2gk3 h THR 60 N 0.00 1.42 -0.92 6.12 2.02 -1.46 -2.98 112.91 117.11 2gk3 h THR 60 Ca -0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.06 2gk3 h THR 60 Cb 0.44 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 2gk3 h THR 60 CO 0.01 0.62 0.58 0.58 0.37 0.00 0.00 175.52 177.68 2gk3 h VAL 61 N 0.11 1.25 0.00 3.16 2.07 -1.23 -0.20 116.25 121.42 2gk3 h VAL 61 Ca -0.01 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2gk3 h VAL 61 Cb 1.16 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2gk3 h VAL 61 CO 0.09 0.25 -0.10 1.56 0.02 0.00 0.00 177.57 179.39 2gk3 h GLN 62 N 1.26 0.00 0.00 1.57 4.20 -1.47 -2.91 115.11 117.76 2gk3 h GLN 62 Ca 0.33 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.79 2gk3 h GLN 62 Cb -0.09 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 2gk3 h GLN 62 CO -0.07 0.10 -1.95 -0.89 -0.67 0.00 0.00 178.83 175.36 2gk3 n ILE 63 N -4.32 0.95 -2.77 2.54 5.41 -1.11 -1.42 119.36 118.64 2gk3 n ILE 63 Ca -0.03 -0.40 -0.01 0.00 1.00 0.00 0.00 62.75 63.31 2gk3 n ILE 63 Cb 0.18 -1.02 0.08 0.00 -0.71 0.00 0.00 39.64 38.17 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 -2.91 2.70 -1.97 -1.39 0.00 -0.10 -5.00 120.51 111.83 2gk3 n ALA 64 Ca -0.28 -2.13 -0.42 0.00 0.00 0.00 0.00 53.44 50.62 2gk3 n ALA 64 Cb 0.83 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 2gk3 n ALA 64 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2gk3 s PHE 65 N -2.32 3.12 0.01 0.00 5.36 -1.10 -4.85 117.98 118.21 2gk3 s PHE 65 Ca 0.21 0.97 -0.35 0.00 -0.96 0.00 0.00 56.93 56.79 2gk3 s PHE 65 Cb 0.37 -3.77 -0.14 0.00 -0.34 0.00 0.00 43.02 39.14 2gk3 s PHE 65 CO -0.07 -2.60 1.65 -2.30 -1.46 0.00 0.00 175.22 170.44 2gk3 n PRO 66 N 3.05 1.86 0.10 10.12 -0.02 -1.26 -4.90 135.00 143.95 2gk3 n PRO 66 Ca 0.09 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 2gk3 n PRO 66 Cb 0.41 -2.44 0.41 0.00 -0.02 0.00 0.00 33.50 31.86 2gk3 n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gk3 n GLU 67 N 4.52 0.25 -4.09 -0.52 1.02 -1.26 -4.84 120.64 115.73 2gk3 n GLU 67 Ca 0.20 0.20 -0.14 0.00 -0.02 0.00 0.00 57.16 57.40 2gk3 n GLU 67 Cb 0.25 -1.79 -0.12 0.00 -0.02 0.00 0.00 31.44 29.77 2gk3 n GLU 67 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2gk3 s SER 68 N -4.46 0.90 0.58 1.62 0.15 -1.26 -4.85 113.70 106.38 2gk3 s SER 68 Ca 0.11 -0.50 0.29 0.00 0.70 0.00 0.00 55.95 56.55 2gk3 s SER 68 Cb 0.13 0.01 1.75 0.00 -1.71 0.00 0.00 66.02 66.20 2gk3 s SER 68 CO 0.60 -0.16 2.22 -0.29 1.20 0.00 0.00 173.24 176.81 2gk3 h ILE 69 N 4.55 0.54 -0.81 6.45 -0.00 -1.92 -2.42 117.51 123.89 2gk3 h ILE 69 Ca -0.35 -0.11 0.12 0.00 -0.00 0.00 0.00 64.86 64.52 2gk3 h ILE 69 Cb 1.20 1.07 -0.08 0.00 -0.00 0.00 0.00 36.82 39.01 2gk3 h ILE 69 CO 0.42 0.02 0.43 0.44 -0.00 0.00 0.00 178.15 179.47 2gk3 h ASP 70 N 0.00 0.57 0.33 2.19 3.32 -1.99 0.16 116.42 121.00 2gk3 h ASP 70 Ca -0.00 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2gk3 h ASP 70 Cb 0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2gk3 h ASP 70 CO 0.00 0.29 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.11 2gk3 h GLU 71 N 0.69 0.06 0.05 3.56 5.08 -1.85 -2.80 114.58 119.37 2gk3 h GLU 71 Ca 0.42 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.51 2gk3 h GLU 71 Cb 0.48 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2gk3 h GLU 71 CO -0.30 0.43 -1.16 -0.07 -1.00 0.00 0.00 179.01 176.91 2gk3 h LEU 72 N 0.05 0.15 -2.03 1.33 3.38 -1.46 -3.34 115.31 113.40 2gk3 h LEU 72 Ca 0.00 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.92 2gk3 h LEU 72 Cb 0.69 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2gk3 h LEU 72 CO 0.05 1.14 0.39 0.78 0.09 0.00 0.00 178.44 180.89 2gk3 h ASN 73 N 0.03 0.00 0.64 -0.43 2.35 -0.44 -1.48 115.58 116.24 2gk3 h ASN 73 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2gk3 h ASN 73 Cb 1.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.23 2gk3 h ASN 73 CO 0.15 0.00 0.00 0.08 -1.65 0.00 0.00 177.43 176.01 2gk3 h ARG 74 N 0.00 0.00 -6.26 0.81 0.11 -1.68 -3.44 114.38 103.92 2gk3 h ARG 74 Ca 0.18 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.69 2gk3 h ARG 74 Cb 0.97 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.01 2gk3 h ARG 74 CO -0.00 0.00 -0.04 0.71 0.10 0.00 0.00 179.97 180.74 2gk3 s TYR 75 N -3.55 3.77 0.03 4.08 2.02 -0.56 -4.80 117.35 118.33 2gk3 s TYR 75 Ca 0.01 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.96 2gk3 s TYR 75 Cb 0.09 -2.48 -0.26 0.00 -0.40 0.00 0.00 41.96 38.91 2gk3 s TYR 75 CO 0.41 0.55 0.94 -0.44 -1.57 0.00 0.00 175.55 175.45 2gk3 h ASP 76 N 4.33 0.27 -3.88 2.29 3.32 -0.10 -3.45 116.42 119.20 2gk3 h ASP 76 Ca -0.49 -0.37 -0.24 0.00 0.02 0.00 0.00 57.03 55.95 2gk3 h ASP 76 Cb 1.21 -0.09 -0.27 0.00 0.22 0.00 0.00 39.33 40.40 2gk3 h ASP 76 CO 0.64 1.30 -0.72 -0.69 -1.72 0.00 0.00 179.24 178.05 2gk3 s VAL 77 N -2.64 0.08 -0.17 -1.35 1.01 -1.21 -1.77 120.40 114.36 2gk3 s VAL 77 Ca -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2gk3 s VAL 77 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.34 2gk3 s VAL 77 CO 0.85 -0.03 -0.02 -0.63 0.00 0.00 0.00 175.10 175.27 2gk3 s ILE 78 N -0.17 4.00 -0.13 2.22 1.01 0.54 -1.68 121.20 127.00 2gk3 s ILE 78 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 2gk3 s ILE 78 Cb -0.01 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2gk3 s ILE 78 CO -0.00 0.47 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 2gk3 s VAL 79 N 0.56 3.81 -0.15 2.92 1.01 0.65 -0.93 120.40 128.26 2gk3 s VAL 79 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2gk3 s VAL 79 Cb -0.14 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.63 2gk3 s VAL 79 CO 0.02 0.53 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 2gk3 s ILE 80 N 0.03 1.62 -0.06 2.22 1.01 -0.02 -0.59 121.20 125.41 2gk3 s ILE 80 Ca -0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 2gk3 s ILE 80 Cb -0.13 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.85 2gk3 s ILE 80 CO 0.03 0.45 0.12 -0.55 0.00 0.00 0.00 174.94 174.99 2gk3 s SER 81 N 1.46 0.54 -1.44 3.58 0.15 -0.65 -1.85 113.70 115.50 2gk3 s SER 81 Ca 0.05 0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.85 2gk3 s SER 81 Cb -0.13 0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.36 2gk3 s SER 81 CO -0.11 -0.21 0.90 0.47 1.20 0.00 0.00 173.24 175.49 2gk3 n ASP 82 N 4.91 -3.62 -3.77 5.45 8.00 -1.26 -1.04 116.55 125.22 2gk3 n ASP 82 Ca -0.13 -0.78 -0.14 0.00 0.71 0.00 0.00 54.79 54.46 2gk3 n ASP 82 Cb 0.50 -4.02 -0.14 0.00 -0.02 0.00 0.00 41.12 37.44 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 -3.43 -0.04 0.37 0.53 2.07 -0.98 -4.12 121.20 115.60 2gk3 s ILE 83 Ca 0.43 0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.79 2gk3 s ILE 83 Cb -0.21 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 2gk3 s ILE 83 CO 0.82 0.06 0.63 -0.83 -1.91 0.00 0.00 174.94 173.72 2gk3 s GLY 84 N 0.97 1.57 0.40 1.50 0.00 -1.15 -4.62 107.32 106.00 2gk3 s GLY 84 Ca -0.08 -0.64 0.16 0.00 0.00 0.00 0.00 44.72 44.16 2gk3 s GLY 84 CO -0.04 -0.53 1.85 1.48 0.00 0.00 0.00 173.10 175.86 2gk3 h SER 85 N 0.90 0.46 -0.26 1.64 4.64 -1.69 -1.20 113.55 118.03 2gk3 h SER 85 Ca -0.48 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2gk3 h SER 85 Cb 1.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2gk3 h SER 85 CO 0.63 0.19 0.18 0.78 -0.87 0.00 0.00 176.83 177.74 2gk3 h ASN 86 N 0.46 0.14 -0.24 4.97 2.35 -1.86 -0.22 115.58 121.18 2gk3 h ASN 86 Ca 0.47 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.17 2gk3 h ASN 86 Cb 1.09 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2gk3 h ASN 86 CO -0.19 0.10 -0.04 0.74 -1.65 0.00 0.00 177.43 176.38 2gk3 h THR 87 N 0.16 1.28 -0.61 2.81 2.02 -1.53 0.29 112.91 117.32 2gk3 h THR 87 Ca 0.11 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 2gk3 h THR 87 Cb 0.25 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2gk3 h THR 87 CO -0.02 0.32 0.13 -0.26 0.37 0.00 0.00 175.52 176.06 2gk3 h PHE 88 N 0.20 1.05 0.00 3.16 -1.00 -1.45 -3.31 116.94 115.59 2gk3 h PHE 88 Ca 0.06 -0.13 -0.20 0.00 2.81 0.00 0.00 57.97 60.51 2gk3 h PHE 88 Cb 0.49 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 2gk3 h PHE 88 CO 0.05 0.89 -1.15 -0.07 -1.61 0.00 0.00 178.31 176.41 2gk3 h LEU 89 N 0.90 0.00 -5.57 1.54 3.38 -0.97 -3.39 115.31 111.20 2gk3 h LEU 89 Ca 0.19 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.51 2gk3 h LEU 89 Cb 0.38 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.75 2gk3 h LEU 89 CO 0.01 0.83 -0.19 0.18 0.09 0.00 0.00 178.44 179.35 2gk3 n LEU 90 N -3.17 5.25 -4.75 1.67 4.77 1.00 -4.96 117.00 116.80 2gk3 n LEU 90 Ca -0.06 -5.60 -0.34 0.00 -0.03 0.00 0.00 56.01 49.99 2gk3 n LEU 90 Cb 0.91 -0.73 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2gk3 n LEU 90 CO 0.44 2.27 0.76 -1.10 -1.33 0.00 0.00 177.39 178.43 2gk3 s GLN 91 N -3.68 2.61 0.30 3.23 -0.21 -1.25 -4.62 119.66 116.03 2gk3 s GLN 91 Ca 0.46 1.53 0.05 0.00 0.02 0.00 0.00 55.36 57.42 2gk3 s GLN 91 Cb 0.25 -1.91 0.75 0.00 1.00 0.00 0.00 33.01 33.10 2gk3 s GLN 91 CO -0.13 -1.43 1.73 -0.91 -2.12 0.00 0.00 175.29 172.43 2gk3 h ASN 92 N -0.01 0.53 -0.40 5.90 2.35 -1.59 0.33 115.58 122.69 2gk3 h ASN 92 Ca -0.47 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 2gk3 h ASN 92 Cb 1.26 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 2gk3 h ASN 92 CO 0.53 0.10 0.18 -0.33 -1.65 0.00 0.00 177.43 176.26 2gk3 h GLU 93 N 0.54 0.63 0.32 0.81 5.08 -1.91 -0.39 114.58 119.66 2gk3 h GLU 93 Ca 0.58 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 2gk3 h GLU 93 Cb 1.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2gk3 h GLU 93 CO -0.47 0.53 -0.15 1.15 -1.00 0.00 0.00 179.01 179.06 2gk3 h THR 94 N 0.63 0.50 0.03 1.13 2.02 -1.18 -1.74 112.91 114.31 2gk3 h THR 94 Ca 0.15 -0.76 -0.22 0.00 0.77 0.00 0.00 66.41 66.36 2gk3 h THR 94 Cb 0.13 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2gk3 h THR 94 CO -0.02 0.11 -0.98 0.15 0.37 0.00 0.00 175.52 175.16 2gk3 h PHE 95 N -0.94 0.42 0.00 3.16 3.57 -1.21 -3.34 116.94 118.59 2gk3 h PHE 95 Ca -0.04 -0.25 -0.19 0.00 3.53 0.00 0.00 57.97 61.02 2gk3 h PHE 95 Cb 0.51 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2gk3 h PHE 95 CO 0.04 1.09 -1.71 0.66 -2.23 0.00 0.00 178.31 176.16 2gk3 n TYR 96 N -3.65 0.00 0.75 0.41 4.01 -0.17 -4.77 117.16 113.74 2gk3 n TYR 96 Ca -0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.79 2gk3 n TYR 96 Cb 0.87 -0.50 0.28 0.00 -0.31 0.00 0.00 39.34 39.68 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 -2.61 2.12 -2.33 -0.72 6.02 -1.07 -4.95 117.38 113.84 2gk3 n GLN 97 Ca -0.19 -1.70 -0.20 0.00 -0.01 0.00 0.00 57.00 54.90 2gk3 n GLN 97 Cb 0.79 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.59 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 0.91 -1.89 -4.89 1.08 4.77 -1.09 -4.97 117.00 110.92 2gk3 n LEU 98 Ca 0.18 0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.86 2gk3 n LEU 98 Cb 0.46 -2.88 -0.05 0.00 -2.33 0.00 0.00 43.42 38.63 2gk3 n LEU 98 CO 0.14 -0.28 0.10 -0.54 -1.33 0.00 0.00 177.39 175.48 2gk3 s LYS 99 N -4.92 3.70 0.01 3.23 -0.14 -0.68 -5.04 119.74 115.92 2gk3 s LYS 99 Ca 0.00 0.07 -0.23 0.00 -1.36 0.00 0.00 55.97 54.46 2gk3 s LYS 99 Cb 0.00 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 2gk3 s LYS 99 CO 0.00 0.43 0.68 0.42 -0.76 0.00 0.00 175.35 176.11 2gk3 s ILE 100 N -1.68 4.84 0.00 2.17 1.01 -1.26 -4.38 121.20 121.90 2gk3 s ILE 100 Ca 0.42 1.43 -0.04 0.00 0.00 0.00 0.00 60.65 62.46 2gk3 s ILE 100 Cb -0.12 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 2gk3 s ILE 100 CO 0.23 0.38 0.08 -0.75 0.00 0.00 0.00 174.94 174.88 2gk3 s LYS 101 N -0.07 0.36 0.36 2.79 2.47 -1.26 -5.05 119.74 119.34 2gk3 s LYS 101 Ca 0.35 -0.36 -0.27 0.00 -1.56 0.00 0.00 55.97 54.12 2gk3 s LYS 101 Cb -0.19 0.14 -0.09 0.00 -1.46 0.00 0.00 37.83 36.23 2gk3 s LYS 101 CO 0.20 -0.07 1.25 -2.14 0.16 0.00 0.00 175.35 174.74 2gk3 s PRO 102 N -1.13 4.22 -0.43 4.03 0.02 -1.26 -4.96 135.00 135.49 2gk3 s PRO 102 Ca -0.12 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 2gk3 s PRO 102 Cb -0.07 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.55 2gk3 s PRO 102 CO 0.00 -0.25 1.39 1.21 -0.33 0.00 0.00 177.00 179.03 2gk3 s ASN 103 N -0.75 6.33 0.46 2.53 3.84 -1.26 -4.91 114.94 121.19 2gk3 s ASN 103 Ca 0.52 0.74 0.20 0.00 0.21 0.00 0.00 52.86 54.53 2gk3 s ASN 103 Cb -0.36 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 38.99 2gk3 s ASN 103 CO 0.47 -1.46 1.92 0.00 -2.79 0.00 0.00 177.10 175.25 2gk3 h ALA 104 N 10.66 2.31 0.17 1.71 0.00 -1.93 -0.37 119.26 131.81 2gk3 h ALA 104 Ca -0.27 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 2gk3 h ALA 104 Cb 1.10 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.90 2gk3 h ALA 104 CO 1.10 -0.52 -1.33 -0.07 0.00 0.00 0.00 179.25 178.43 2gk3 h LEU 105 N 0.26 0.76 -0.74 0.00 3.38 -1.91 -1.19 115.31 115.87 2gk3 h LEU 105 Ca 0.36 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2gk3 h LEU 105 Cb 1.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2gk3 h LEU 105 CO -0.09 1.58 0.49 -0.33 0.09 0.00 0.00 178.44 180.19 2gk3 h GLU 106 N 0.18 0.97 -0.16 1.13 4.39 -1.76 0.14 114.58 119.47 2gk3 h GLU 106 Ca -0.20 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.49 2gk3 h GLU 106 Cb 2.02 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 30.40 2gk3 h GLU 106 CO 0.25 0.64 -0.18 0.77 -1.16 0.00 0.00 179.01 179.33 2gk3 h SER 107 N 1.00 -0.56 -0.75 1.42 0.02 -0.96 0.21 113.55 113.93 2gk3 h SER 107 Ca 0.27 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 2gk3 h SER 107 Cb -0.11 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2gk3 h SER 107 CO -0.06 -0.23 0.38 0.40 -1.14 0.00 0.00 176.83 176.18 2gk3 h ILE 108 N -0.21 1.24 -0.07 3.27 2.04 -1.05 0.46 117.51 123.19 2gk3 h ILE 108 Ca 0.11 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2gk3 h ILE 108 Cb 0.37 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2gk3 h ILE 108 CO -0.28 0.27 -0.15 0.50 0.00 0.00 0.00 178.15 178.48 2gk3 h LYS 109 N 1.05 -0.21 -0.67 2.37 3.64 -0.34 -0.89 116.57 121.52 2gk3 h LYS 109 Ca 0.26 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2gk3 h LYS 109 Cb 0.08 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2gk3 h LYS 109 CO -0.04 -0.14 0.42 0.93 -2.27 0.00 0.00 179.45 178.35 2gk3 h GLU 110 N -0.22 0.82 -0.56 1.90 4.39 -0.24 -0.94 114.58 119.73 2gk3 h GLU 110 Ca 0.07 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.83 2gk3 h GLU 110 Cb 0.32 -0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 28.70 2gk3 h GLU 110 CO -0.20 0.54 0.03 -0.92 -1.16 0.00 0.00 179.01 177.30 2gk3 h TYR 111 N 0.84 0.01 -0.29 4.33 3.20 -0.54 -2.10 116.97 122.43 2gk3 h TYR 111 Ca 0.26 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 2gk3 h TYR 111 Cb -0.01 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2gk3 h TYR 111 CO -0.04 -0.11 -0.30 0.28 -1.64 0.00 0.00 178.16 176.34 2gk3 h VAL 112 N 0.15 1.30 -0.99 1.81 2.07 -0.59 -2.02 116.25 117.97 2gk3 h VAL 112 Ca 0.29 -1.48 0.21 0.00 0.82 0.00 0.00 66.70 66.54 2gk3 h VAL 112 Cb 0.45 1.60 -0.10 0.00 -1.52 0.00 0.00 31.29 31.71 2gk3 h VAL 112 CO -0.45 0.47 0.62 0.11 0.02 0.00 0.00 177.57 178.34 2gk3 h LYS 113 N 0.45 0.62 -0.70 1.57 1.57 -0.75 -0.21 116.57 119.13 2gk3 h LYS 113 Ca 0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2gk3 h LYS 113 Cb 0.88 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2gk3 h LYS 113 CO 0.07 0.41 0.07 0.09 -0.57 0.00 0.00 179.45 179.52 2gk3 n ASN 114 N -4.71 4.76 0.00 0.86 3.02 -0.83 -1.51 115.26 116.84 2gk3 n ASN 114 Ca 0.23 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2gk3 n ASN 114 Cb 0.65 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.35 1.58 3.76 7.41 0.00 -0.79 -4.89 105.19 112.61 2gk3 n GLY 115 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.66 2.86 0.40 -0.02 0.00 -0.77 -4.01 107.32 104.12 2gk3 s GLY 116 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 2gk3 s GLY 116 CO 0.00 1.65 0.78 -0.32 0.00 0.00 0.00 173.10 175.22 2gk3 s GLY 117 N -1.05 2.04 -0.04 0.20 0.00 -0.73 -3.20 107.32 104.55 2gk3 s GLY 117 Ca 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 2gk3 s GLY 117 CO 0.43 0.09 0.02 -2.27 0.00 0.00 0.00 173.10 171.36 2gk3 s LEU 118 N -3.67 0.75 0.00 0.66 2.96 -0.32 -0.34 118.68 118.72 2gk3 s LEU 118 Ca 0.53 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2gk3 s LEU 118 Cb -0.10 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.34 2gk3 s LEU 118 CO 0.28 -0.16 0.00 -0.11 -1.32 0.00 0.00 176.35 175.04 2gk3 n LEU 119 N 4.69 0.00 -3.59 -0.68 7.94 -0.11 -0.68 117.00 124.58 2gk3 n LEU 119 Ca -0.16 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.60 2gk3 n LEU 119 Cb 0.50 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.39 2gk3 n LEU 119 CO 0.15 -0.10 0.55 -0.63 -1.11 0.00 0.00 177.39 176.26 2gk3 s ILE 121 N 0.25 0.00 0.79 1.96 1.01 -0.77 -0.84 121.20 123.61 2gk3 s ILE 121 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 2gk3 s ILE 121 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.53 2gk3 s ILE 121 CO 0.00 0.00 1.09 -0.83 0.00 0.00 0.00 174.94 175.20 2gk3 s GLY 122 N -0.44 1.63 0.00 6.18 0.00 0.57 -4.25 107.32 111.02 2gk3 s GLY 122 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2gk3 s GLY 122 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.04 2gk3 n GLY 123 N -1.89 -2.79 0.20 0.20 0.00 -1.26 -3.81 105.19 95.83 2gk3 n GLY 123 Ca 0.07 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.23 1.61 -1.99 -1.96 -2.96 116.97 111.44 2gk3 h TYR 124 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 2gk3 h TYR 124 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 2gk3 h TYR 124 CO 0.00 0.35 -0.06 1.28 -0.00 0.00 0.00 178.16 179.73 2gk3 n LEU 125 N -3.75 3.64 -4.83 3.88 4.32 -1.26 -0.42 117.00 118.56 2gk3 n LEU 125 Ca -0.01 -3.37 -0.21 0.00 -0.02 0.00 0.00 56.01 52.40 2gk3 n LEU 125 Cb 0.44 -0.56 -0.04 0.00 -1.62 0.00 0.00 43.42 41.64 2gk3 n LEU 125 CO 0.37 0.94 -0.10 -0.44 -1.22 0.00 0.00 177.39 176.94 2gk3 s SER 126 N -2.41 5.22 0.00 -1.43 0.01 -1.12 -2.33 113.70 111.65 2gk3 s SER 126 Ca 0.41 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2gk3 s SER 126 Cb 0.36 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2gk3 s SER 126 CO 0.03 -0.33 0.00 0.49 0.41 0.00 0.00 173.24 173.85 2gk3 n PHE 127 N -1.33 0.00 -2.48 2.43 3.72 -1.26 -4.71 117.46 113.83 2gk3 n PHE 127 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2gk3 n PHE 127 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.73 3.68 1.37 0.00 -1.26 -1.69 105.19 106.56 2gk3 n GLY 129 Ca 0.00 -1.45 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 2gk3 n GLY 129 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gk3 n ILE 130 N 8.06 0.55 -2.22 -0.61 3.06 0.44 -1.47 119.36 127.17 2gk3 n ILE 130 Ca 0.00 -0.10 -0.18 0.00 -2.50 0.00 0.00 62.75 59.97 2gk3 n ILE 130 Cb 0.00 -2.03 -0.02 0.00 0.54 0.00 0.00 39.64 38.12 2gk3 n ILE 130 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2gk3 n GLU 131 N 6.47 -1.76 -1.72 9.51 1.02 -1.26 -1.66 120.64 131.24 2gk3 n GLU 131 Ca 0.20 0.92 -0.15 0.00 -0.02 0.00 0.00 57.16 58.11 2gk3 n GLU 131 Cb 0.34 -5.50 -0.05 0.00 -0.02 0.00 0.00 31.44 26.22 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 -1.41 -0.37 -0.25 0.62 0.00 -0.54 -4.79 120.51 113.77 2gk3 n ALA 132 Ca -0.21 0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gk3 n ALA 132 Cb 0.65 -1.62 0.21 0.00 0.00 0.00 0.00 19.45 18.69 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 1.06 -0.42 0.00 1.57 -1.50 -2.43 116.57 114.85 2gk3 h LYS 133 Ca -0.33 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 2gk3 h LYS 133 Cb 1.07 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2gk3 h LYS 133 CO 0.45 0.71 0.17 0.00 -0.57 0.00 0.00 179.45 180.21 2gk3 h ALA 134 N 1.48 1.52 -2.11 3.86 0.00 -1.80 -3.44 119.26 118.78 2gk3 h ALA 134 Ca 0.29 -0.11 -0.42 0.00 0.00 0.00 0.00 54.91 54.67 2gk3 h ALA 134 Cb -0.11 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.43 2gk3 h ALA 134 CO -0.06 0.37 -0.47 -1.71 0.00 0.00 0.00 179.25 177.38 2gk3 n ASN 135 N -4.38 -5.73 0.11 0.00 5.15 -0.92 -2.00 115.26 107.49 2gk3 n ASN 135 Ca 0.03 0.21 0.01 0.00 -0.60 0.00 0.00 54.58 54.23 2gk3 n ASN 135 Cb 0.14 -4.88 0.34 0.00 -0.53 0.00 0.00 39.78 34.85 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 0.25 -0.99 1.20 -1.99 -1.64 -2.52 116.97 111.28 2gk3 h TYR 136 Ca -0.46 -0.04 0.16 0.00 2.00 0.00 0.00 58.73 60.38 2gk3 h TYR 136 Cb 1.36 -0.07 -0.09 0.00 2.00 0.00 0.00 36.73 39.93 2gk3 h TYR 136 CO 0.57 0.44 0.62 -0.22 -0.00 0.00 0.00 178.16 179.56 2gk3 h LYS 137 N 0.22 0.81 -0.86 4.88 3.64 -1.89 -1.92 116.57 121.45 2gk3 h LYS 137 Ca 0.04 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2gk3 h LYS 137 Cb 0.50 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.05 2gk3 h LYS 137 CO 0.03 0.54 0.20 0.09 -2.27 0.00 0.00 179.45 178.04 2gk3 n ASN 138 N -4.67 3.73 -4.51 4.20 3.02 -0.95 -4.70 115.26 111.38 2gk3 n ASN 138 Ca 0.21 -2.78 -0.24 0.00 -0.03 0.00 0.00 54.58 51.73 2gk3 n ASN 138 Cb 0.48 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.08 2.00 -0.82 3.41 -4.23 -0.72 -5.01 115.64 108.19 2gk3 s THR 139 Ca 0.35 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 58.81 2gk3 s THR 139 Cb 0.28 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.62 2gk3 s THR 139 CO 0.08 -0.22 1.34 1.33 -0.54 0.00 0.00 174.62 176.62 2gk3 n VAL 140 N -0.73 1.37 0.33 2.29 0.24 -1.26 -1.81 118.33 118.75 2gk3 n VAL 140 Ca -0.05 0.41 0.12 0.00 -2.04 0.00 0.00 64.34 62.78 2gk3 n VAL 140 Cb 0.64 -1.32 0.19 0.00 -1.47 0.00 0.00 33.84 31.88 2gk3 n VAL 140 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2gk3 h LEU 141 N 0.00 0.00 -0.61 1.34 5.85 -1.87 -3.36 115.31 116.66 2gk3 h LEU 141 Ca 0.00 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.81 2gk3 h LEU 141 Cb 0.13 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2gk3 h LEU 141 CO 0.00 0.01 0.18 0.00 -0.34 0.00 0.00 178.44 178.29 2gk3 h ALA 142 N 2.17 0.77 0.00 1.25 0.00 -1.48 -2.05 119.26 119.92 2gk3 h ALA 142 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2gk3 h ALA 142 Cb 0.92 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2gk3 h ALA 142 CO 0.00 -0.26 -0.10 0.93 0.00 0.00 0.00 179.25 179.83 2gk3 h GLU 143 N 0.33 0.00 0.00 0.00 4.39 -1.80 -2.39 114.58 115.11 2gk3 h GLU 143 Ca 0.32 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 2gk3 h GLU 143 Cb 0.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2gk3 h GLU 143 CO -0.36 0.10 -0.33 0.28 -1.16 0.00 0.00 179.01 177.53 2gk3 h VAL 144 N 0.00 0.95 -3.28 3.13 2.07 -1.59 -3.46 116.25 114.07 2gk3 h VAL 144 Ca -0.00 -1.28 -0.57 0.00 0.82 0.00 0.00 66.70 65.67 2gk3 h VAL 144 Cb 0.21 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 2gk3 h VAL 144 CO 0.01 0.33 -0.08 -0.76 0.02 0.00 0.00 177.57 177.08 2gk3 s LEU 145 N -7.44 4.39 -0.00 2.57 1.43 -0.90 -4.80 118.68 113.92 2gk3 s LEU 145 Ca -0.01 1.10 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2gk3 s LEU 145 Cb 0.12 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 43.23 2gk3 s LEU 145 CO 0.68 0.16 0.97 -0.81 0.23 0.00 0.00 176.35 177.58 2gk3 n PRO 146 N 1.07 1.06 -4.32 1.29 -0.04 -1.26 -4.78 135.00 128.01 2gk3 n PRO 146 Ca -0.07 -0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 2gk3 n PRO 146 Cb 0.52 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.88 1.66 0.45 0.52 -7.23 -1.26 -1.22 120.40 111.44 2gk3 s VAL 147 Ca 0.02 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2gk3 s VAL 147 Cb 0.01 -1.92 0.04 0.00 0.56 0.00 0.00 36.38 35.07 2gk3 s VAL 147 CO 0.01 -0.52 0.35 -0.38 -0.31 0.00 0.00 175.10 174.25 2gk3 n ILE 148 N -0.11 0.00 -3.89 -0.62 5.41 0.20 -4.76 119.36 115.59 2gk3 n ILE 148 Ca -0.10 -1.78 -0.21 0.00 1.00 0.00 0.00 62.75 61.65 2gk3 n ILE 148 Cb 0.59 -0.13 -0.04 0.00 -0.71 0.00 0.00 39.64 39.35 2gk3 n ILE 148 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2gk3 s LEU 150 N 0.00 3.61 0.04 1.39 1.43 -1.26 -1.33 118.68 122.56 2gk3 s LEU 150 Ca 0.27 -0.47 0.26 0.00 -1.03 0.00 0.00 54.13 53.16 2gk3 s LEU 150 Cb -0.02 -2.20 0.78 0.00 0.03 0.00 0.00 46.19 44.78 2gk3 s LEU 150 CO 0.17 -0.29 1.63 0.47 0.23 0.00 0.00 176.35 178.56 2gk3 n ASP 151 N -1.32 0.39 0.00 2.29 8.00 -1.26 -4.93 116.55 119.73 2gk3 n ASP 151 Ca -0.03 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2gk3 n ASP 151 Cb 0.59 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2gk3 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gk3 n GLY 152 N 1.45 5.41 3.66 0.44 0.00 -1.26 -5.04 105.19 109.85 2gk3 n GLY 152 Ca 0.06 -1.49 -0.48 0.00 0.00 0.00 0.00 46.02 44.10 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 2.97 -0.56 1.61 4.64 -1.26 -4.59 116.55 119.36 2gk3 n ASP 153 Ca 0.00 1.06 0.05 0.00 -1.38 0.00 0.00 54.79 54.52 2gk3 n ASP 153 Cb 0.00 -1.37 0.11 0.00 -1.04 0.00 0.00 41.12 38.82 2gk3 n ASP 153 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2gk3 n ASP 154 N 4.19 2.56 -4.76 1.67 3.85 -1.24 -4.94 116.55 117.88 2gk3 n ASP 154 Ca 0.19 -1.81 -0.41 0.00 -0.71 0.00 0.00 54.79 52.05 2gk3 n ASP 154 Cb 0.27 -0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 39.86 2gk3 n ASP 154 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2gk3 s ARG 155 N -0.97 4.40 -0.26 0.11 0.52 -1.26 -0.12 118.95 121.37 2gk3 s ARG 155 Ca 0.19 2.11 -0.05 0.00 -0.52 0.00 0.00 55.73 57.46 2gk3 s ARG 155 Cb 0.11 -3.13 -0.00 0.00 0.52 0.00 0.00 34.95 32.45 2gk3 s ARG 155 CO 0.15 -0.17 0.02 0.08 0.02 0.00 0.00 175.30 175.39 2gk3 s VAL 156 N -0.63 3.66 -0.28 3.52 1.01 0.55 -4.84 120.40 123.38 2gk3 s VAL 156 Ca 0.52 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 2gk3 s VAL 156 Cb -0.38 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2gk3 s VAL 156 CO 0.45 0.25 0.39 -1.61 0.00 0.00 0.00 175.10 174.59 2gk3 s GLU 157 N 1.48 3.96 -0.59 2.72 0.41 -1.26 -2.04 118.70 123.38 2gk3 s GLU 157 Ca 0.04 0.01 0.06 0.00 -0.41 0.00 0.00 54.97 54.67 2gk3 s GLU 157 Cb -0.16 -3.68 0.26 0.00 -1.78 0.00 0.00 34.13 28.78 2gk3 s GLU 157 CO -0.00 -0.32 0.74 1.63 -0.49 0.00 0.00 175.26 176.81 2gk3 n LYS 158 N 5.37 2.34 0.32 1.61 4.76 0.17 -4.95 118.16 127.78 2gk3 n LYS 158 Ca -0.08 -4.47 0.20 0.00 -2.87 0.00 0.00 58.31 51.09 2gk3 n LYS 158 Cb 0.50 -2.10 1.11 0.00 -1.84 0.00 0.00 35.03 32.70 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 3.99 0.00 0.00 1.97 0.13 -1.92 0.18 132.00 136.35 2gk3 h PRO 159 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2gk3 h PRO 159 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2gk3 h PRO 159 CO 0.78 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.88 2gk3 n GLU 160 N -3.23 0.03 0.00 0.86 4.71 -1.26 -4.98 120.64 116.77 2gk3 n GLU 160 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2gk3 n GLU 160 Cb 0.12 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2gk3 n GLU 160 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gk3 n GLY 161 N 1.48 -2.04 3.30 0.62 0.00 0.63 -5.07 105.19 104.10 2gk3 n GLY 161 Ca 0.07 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2gk3 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gk3 s ILE 162 N -3.14 0.02 0.29 -0.61 -1.16 0.19 -4.90 121.20 111.89 2gk3 s ILE 162 Ca 0.00 -0.15 -0.01 0.00 -0.51 0.00 0.00 60.65 59.99 2gk3 s ILE 162 Cb 0.00 -0.62 -0.04 0.00 0.61 0.00 0.00 42.46 42.41 2gk3 s ILE 162 CO 0.00 -0.08 0.50 0.00 -2.81 0.00 0.00 174.94 172.55 2gk3 s ALA 164 N -2.14 2.72 -0.01 0.00 0.00 -0.49 -4.47 121.76 117.37 2gk3 s ALA 164 Ca 0.40 0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2gk3 s ALA 164 Cb -0.10 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2gk3 s ALA 164 CO 0.33 -0.83 -0.25 -1.21 0.00 0.00 0.00 175.76 173.80 2gk3 s GLU 165 N -4.00 2.07 -0.11 0.00 8.01 0.28 -4.77 118.70 120.17 2gk3 s GLU 165 Ca 0.64 -0.96 -0.30 0.00 0.01 0.00 0.00 54.97 54.37 2gk3 s GLU 165 Cb -0.17 -2.06 -0.01 0.00 -4.31 0.00 0.00 34.13 27.58 2gk3 s GLU 165 CO 0.36 0.55 1.06 0.00 0.01 0.00 0.00 175.26 177.24 2gk3 s ALA 166 N -0.67 3.46 -0.10 5.21 0.00 -1.26 -0.31 121.76 128.09 2gk3 s ALA 166 Ca 0.11 0.40 0.14 0.00 0.00 0.00 0.00 51.96 52.61 2gk3 s ALA 166 Cb -0.10 -3.47 -0.20 0.00 0.00 0.00 0.00 23.12 19.35 2gk3 s ALA 166 CO 0.00 -0.71 0.16 1.33 0.00 0.00 0.00 175.76 176.54 2gk3 n VAL 167 N 4.68 0.63 -3.54 0.00 0.24 0.13 -4.65 118.33 115.83 2gk3 n VAL 167 Ca 0.10 -0.52 -0.29 0.00 -2.04 0.00 0.00 64.34 61.58 2gk3 n VAL 167 Cb 0.48 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.36 3.83 0.26 -1.34 7.64 -0.84 -4.95 113.62 115.85 2gk3 n SER 168 Ca -0.16 -3.35 0.13 0.00 1.01 0.00 0.00 58.87 56.50 2gk3 n SER 168 Cb 0.77 -0.78 0.64 0.00 -1.01 0.00 0.00 64.21 63.83 2gk3 n SER 168 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2gk3 h PRO 169 N 4.78 0.00 -0.03 1.43 0.13 -1.82 -2.19 132.00 134.30 2gk3 h PRO 169 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2gk3 h PRO 169 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2gk3 h PRO 169 CO 0.85 0.13 0.00 -0.85 -0.23 0.00 0.00 178.00 177.90 2gk3 n GLU 170 N -3.38 1.45 -2.08 0.86 0.00 -1.26 -3.48 120.64 112.74 2gk3 n GLU 170 Ca -0.01 -0.66 -0.41 0.00 0.00 0.00 0.00 57.16 56.09 2gk3 n GLU 170 Cb 0.32 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 30.27 2gk3 n GLU 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2gk3 s HIS 171 N -1.98 2.98 0.28 -1.84 2.46 -0.82 -4.68 115.29 111.69 2gk3 s HIS 171 Ca 0.40 1.39 0.02 0.00 0.47 0.00 0.00 55.06 57.34 2gk3 s HIS 171 Cb 0.21 -3.71 0.61 0.00 -0.13 0.00 0.00 32.58 29.56 2gk3 s HIS 171 CO 0.33 -1.99 1.79 -1.35 -2.47 0.00 0.00 174.74 171.06 2gk3 h PRO 172 N 3.26 0.78 -0.56 2.88 0.11 -1.91 0.27 132.00 136.83 2gk3 h PRO 172 Ca -0.49 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.62 2gk3 h PRO 172 Cb 1.23 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2gk3 h PRO 172 CO 0.65 0.51 0.37 0.28 -0.21 0.00 0.00 178.00 179.60 2gk3 h VAL 173 N 0.80 1.03 0.00 3.15 2.07 -1.91 -3.25 116.25 118.15 2gk3 h VAL 173 Ca 0.52 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2gk3 h VAL 173 Cb 0.68 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2gk3 h VAL 173 CO -0.34 0.11 0.00 1.33 0.02 0.00 0.00 177.57 178.69 2gk3 n VAL 174 N -4.47 0.45 -1.73 2.57 0.24 -0.70 -4.70 118.33 109.99 2gk3 n VAL 174 Ca 0.07 -0.67 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 2gk3 n VAL 174 Cb 0.18 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 2gk3 n VAL 174 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2gk3 s ASN 175 N -0.45 6.37 0.00 -1.34 2.47 0.88 -1.81 114.94 121.06 2gk3 s ASN 175 Ca 0.00 2.88 0.00 0.00 0.42 0.00 0.00 52.86 56.16 2gk3 s ASN 175 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 2gk3 s ASN 175 CO 0.00 -0.97 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 2gk3 n GLY 176 N 3.85 0.75 3.88 1.21 0.00 -1.26 -5.03 105.19 108.59 2gk3 n GLY 176 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.83 3.51 0.15 1.61 0.40 -0.75 -5.09 117.98 114.97 2gk3 s PHE 177 Ca 0.00 1.00 -0.15 0.00 -0.60 0.00 0.00 56.93 57.18 2gk3 s PHE 177 Cb 0.00 -2.42 0.05 0.00 0.51 0.00 0.00 43.02 41.16 2gk3 s PHE 177 CO 0.00 -0.20 0.73 -1.13 0.70 0.00 0.00 175.22 175.32 2gk3 n SER 178 N -1.68 -1.30 -3.55 1.36 3.41 -1.26 -5.03 113.62 105.57 2gk3 n SER 178 Ca 0.02 -1.71 -0.24 0.00 -0.26 0.00 0.00 58.87 56.68 2gk3 n SER 178 Cb 0.54 2.12 0.03 0.00 -0.26 0.00 0.00 64.21 66.64 2gk3 n SER 178 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gk3 n ASP 179 N -1.13 -5.82 -4.75 4.04 2.03 -1.26 -4.88 116.55 104.79 2gk3 n ASP 179 Ca -0.02 -0.82 -0.41 0.00 0.52 0.00 0.00 54.79 54.05 2gk3 n ASP 179 Cb 0.42 -3.64 -0.03 0.00 -0.72 0.00 0.00 41.12 37.16 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 -3.31 3.22 0.14 -0.67 1.51 -1.26 -4.99 117.35 111.98 2gk3 s TYR 180 Ca 0.33 1.27 -0.02 0.00 -1.01 0.00 0.00 57.07 57.64 2gk3 s TYR 180 Cb -0.11 -3.62 0.03 0.00 -0.11 0.00 0.00 41.96 38.16 2gk3 s TYR 180 CO 0.84 -1.86 0.16 -0.35 -1.11 0.00 0.00 175.55 173.23 2gk3 n PRO 181 N 2.16 -0.62 -4.45 -1.71 -0.04 -1.26 -4.60 135.00 124.49 2gk3 n PRO 181 Ca 0.05 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2gk3 n PRO 181 Cb 0.42 -0.19 -0.13 0.00 -0.04 0.00 0.00 33.50 33.57 2gk3 n PRO 181 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2gk3 s VAL 182 N -1.32 2.33 0.14 0.52 0.11 -1.26 -1.40 120.40 119.51 2gk3 s VAL 182 Ca 0.09 -1.67 0.05 0.00 -2.93 0.00 0.00 61.98 57.52 2gk3 s VAL 182 Cb -0.01 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 2gk3 s VAL 182 CO 0.07 0.13 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.50 2gk3 s PHE 183 N -1.04 1.28 -1.77 1.54 0.40 0.12 -4.20 117.98 114.31 2gk3 s PHE 183 Ca 0.14 -0.71 0.16 0.00 -0.60 0.00 0.00 56.93 55.92 2gk3 s PHE 183 Cb -0.10 -0.65 0.23 0.00 0.51 0.00 0.00 43.02 43.01 2gk3 s PHE 183 CO 0.06 0.09 1.13 1.28 0.70 0.00 0.00 175.22 178.48 2gk3 n LEU 184 N -0.02 2.67 0.00 -0.37 4.32 -0.25 -0.64 117.00 122.72 2gk3 n LEU 184 Ca -0.12 -1.34 0.00 0.00 -0.02 0.00 0.00 56.01 54.53 2gk3 n LEU 184 Cb 0.60 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2gk3 n LEU 184 CO 0.31 0.56 0.00 0.61 -1.22 0.00 0.00 177.39 177.65 2gk3 n GLY 185 N 0.92 0.70 3.80 -0.72 0.00 -1.26 0.43 105.19 109.06 2gk3 n GLY 185 Ca 0.12 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.17 -0.13 1.61 -0.85 -0.86 -4.55 117.35 110.40 2gk3 s TYR 186 Ca 0.00 -0.26 -0.21 0.00 -0.52 0.00 0.00 57.07 56.08 2gk3 s TYR 186 Cb 0.00 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 2gk3 s TYR 186 CO 0.00 -1.19 0.61 -0.80 -1.52 0.00 0.00 175.55 172.66 2gk3 s ASN 187 N -2.92 6.79 -0.18 -0.18 0.01 -1.26 -0.33 114.94 116.87 2gk3 s ASN 187 Ca 0.11 0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 52.92 2gk3 s ASN 187 Cb -0.05 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.26 2gk3 s ASN 187 CO 0.06 -0.14 1.03 -1.58 -1.51 0.00 0.00 177.10 174.95 2gk3 s GLN 188 N 1.16 4.33 0.33 -0.60 0.74 0.83 -4.84 119.66 121.60 2gk3 s GLN 188 Ca 0.31 1.38 0.06 0.00 0.05 0.00 0.00 55.36 57.15 2gk3 s GLN 188 Cb -0.16 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 2gk3 s GLN 188 CO 0.13 -0.50 0.23 0.00 -0.55 0.00 0.00 175.29 174.60 2gk3 s ALA 189 N 2.71 2.00 -0.14 1.58 0.00 -1.26 -4.23 121.76 122.41 2gk3 s ALA 189 Ca 0.46 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.58 2gk3 s ALA 189 Cb -0.16 1.32 0.02 0.00 0.00 0.00 0.00 23.12 24.29 2gk3 s ALA 189 CO 0.11 -0.59 -0.19 0.08 0.00 0.00 0.00 175.76 175.18 2gk3 s VAL 190 N -3.49 1.86 0.26 0.00 1.01 -0.44 -4.49 120.40 115.11 2gk3 s VAL 190 Ca 0.37 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2gk3 s VAL 190 Cb 0.03 -1.67 -0.12 0.00 0.00 0.00 0.00 36.38 34.62 2gk3 s VAL 190 CO 0.23 0.51 1.66 0.00 0.00 0.00 0.00 175.10 177.50 2gk3 s ALA 191 N 1.07 3.84 0.43 5.51 0.00 -1.26 0.58 121.76 131.93 2gk3 s ALA 191 Ca -0.02 1.59 -0.24 0.00 0.00 0.00 0.00 51.96 53.29 2gk3 s ALA 191 Cb -0.14 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 2gk3 s ALA 191 CO -0.06 -0.97 1.11 0.54 0.00 0.00 0.00 175.76 176.38 2gk3 n ARG 192 N 2.98 1.54 0.00 0.00 1.74 -0.36 -4.78 116.66 117.78 2gk3 n ARG 192 Ca 0.12 0.55 0.13 0.00 -0.77 0.00 0.00 57.85 57.88 2gk3 n ARG 192 Cb 0.36 -2.18 0.59 0.00 -1.02 0.00 0.00 32.46 30.22 2gk3 n ARG 192 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2gk3 n ASP 193 N 0.31 0.00 -0.54 0.55 3.85 -1.26 -1.93 116.55 117.53 2gk3 n ASP 193 Ca 0.09 0.37 0.13 0.00 -0.71 0.00 0.00 54.79 54.67 2gk3 n ASP 193 Cb 0.40 -0.45 0.38 0.00 -1.35 0.00 0.00 41.12 40.09 2gk3 n ASP 193 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2gk3 n ASP 194 N -1.45 1.76 -4.92 -1.12 3.85 -1.26 -4.96 116.55 108.45 2gk3 n ASP 194 Ca 0.08 -1.49 -0.27 0.00 -0.71 0.00 0.00 54.79 52.40 2gk3 n ASP 194 Cb 0.29 0.06 0.02 0.00 -1.35 0.00 0.00 41.12 40.14 2gk3 n ASP 194 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gk3 s ALA 195 N -2.12 3.35 -0.34 2.12 0.00 -0.82 -4.97 121.76 118.98 2gk3 s ALA 195 Ca 0.32 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2gk3 s ALA 195 Cb 0.20 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.75 2gk3 s ALA 195 CO 0.38 -0.67 0.19 -0.51 0.00 0.00 0.00 175.76 175.14 2gk3 s ASP 196 N -4.25 5.69 -0.23 0.00 1.01 0.60 -4.96 116.67 114.53 2gk3 s ASP 196 Ca 0.52 -0.72 -0.22 0.00 0.71 0.00 0.00 52.55 52.84 2gk3 s ASP 196 Cb -0.10 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 2gk3 s ASP 196 CO 0.45 -0.29 0.69 -0.69 0.21 0.00 0.00 175.17 175.54 2gk3 s VAL 197 N 1.60 4.95 -0.18 -1.27 1.01 -1.26 -0.61 120.40 124.64 2gk3 s VAL 197 Ca 0.04 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2gk3 s VAL 197 Cb -0.18 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 2gk3 s VAL 197 CO 0.07 0.03 -0.16 0.52 0.00 0.00 0.00 175.10 175.55 2gk3 n VAL 198 N 5.04 1.02 -4.68 2.92 0.31 0.54 -4.23 118.33 119.25 2gk3 n VAL 198 Ca 0.01 -0.38 -0.24 0.00 -0.01 0.00 0.00 64.34 63.72 2gk3 n VAL 198 Cb 0.49 -1.17 -0.15 0.00 -0.91 0.00 0.00 33.84 32.11 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 -6.10 2.11 0.42 7.52 1.43 -1.13 -0.69 118.68 122.24 2gk3 s LEU 199 Ca -0.24 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2gk3 s LEU 199 Cb 0.06 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.33 2gk3 s LEU 199 CO 0.41 0.16 0.02 0.42 0.23 0.00 0.00 176.35 177.59 2gk3 s THR 200 N -0.63 1.94 -0.24 5.49 -4.23 0.58 0.03 115.64 118.57 2gk3 s THR 200 Ca 0.06 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2gk3 s THR 200 Cb -0.08 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.93 2gk3 s THR 200 CO 0.01 0.00 0.54 -0.51 -0.54 0.00 0.00 174.62 174.12 2gk3 s ILE 201 N -2.72 -0.61 -1.41 2.99 2.07 0.13 -0.56 121.20 121.09 2gk3 s ILE 201 Ca 0.33 0.07 -0.08 0.00 -1.41 0.00 0.00 60.65 59.56 2gk3 s ILE 201 Cb 0.09 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.89 2gk3 s ILE 201 CO 0.17 0.03 0.94 -3.20 -1.91 0.00 0.00 174.94 170.97 2gk3 n ASN 202 N 5.12 -3.82 -0.35 4.50 5.15 -1.26 -0.73 115.26 123.86 2gk3 n ASN 202 Ca -0.13 -0.74 -0.05 0.00 -0.60 0.00 0.00 54.58 53.06 2gk3 n ASN 202 Cb 0.51 -4.23 -0.02 0.00 -0.53 0.00 0.00 39.78 35.52 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 -2.95 -4.65 -4.43 1.20 5.03 -1.26 -5.01 115.26 103.20 2gk3 n ASN 203 Ca -0.09 0.11 -0.22 0.00 0.87 0.00 0.00 54.58 55.26 2gk3 n ASN 203 Cb 0.59 -2.55 -0.10 0.00 -1.02 0.00 0.00 39.78 36.69 2gk3 n ASN 203 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2gk3 s ASP 204 N -2.33 3.19 0.44 6.41 1.01 0.09 -5.13 116.67 120.35 2gk3 s ASP 204 Ca 0.00 -1.05 -0.25 0.00 0.71 0.00 0.00 52.55 51.97 2gk3 s ASP 204 Cb 0.00 -0.24 -0.08 0.00 1.01 0.00 0.00 42.92 43.62 2gk3 s ASP 204 CO 0.00 -0.07 1.26 -2.16 0.21 0.00 0.00 175.17 174.40 2gk3 s PRO 205 N -3.58 3.81 -0.03 8.23 0.04 -1.26 0.21 135.00 142.42 2gk3 s PRO 205 Ca 0.27 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 2gk3 s PRO 205 Cb -0.02 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 2gk3 s PRO 205 CO 0.12 -0.58 -0.03 -0.11 0.04 0.00 0.00 177.00 176.44 2gk3 n LEU 206 N -0.19 1.77 -3.98 -3.56 7.94 0.10 -4.60 117.00 114.49 2gk3 n LEU 206 Ca 0.06 0.01 -0.27 0.00 -1.11 0.00 0.00 56.01 54.69 2gk3 n LEU 206 Cb 0.45 -0.09 -0.17 0.00 0.53 0.00 0.00 43.42 44.14 2gk3 n LEU 206 CO 0.53 0.33 -0.46 -0.22 -1.11 0.00 0.00 177.39 176.46 2gk3 s LEU 207 N -5.60 1.48 -0.04 -1.96 2.96 -0.41 -4.10 118.68 111.01 2gk3 s LEU 207 Ca -0.04 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2gk3 s LEU 207 Cb 0.01 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.79 2gk3 s LEU 207 CO 0.06 -0.04 0.01 -0.69 -1.32 0.00 0.00 176.35 174.36 2gk3 s VAL 208 N 1.27 0.18 -0.06 1.68 1.01 -0.73 -0.34 120.40 123.40 2gk3 s VAL 208 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2gk3 s VAL 208 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2gk3 s VAL 208 CO -0.04 0.17 -0.06 -0.36 0.00 0.00 0.00 175.10 174.81 2gk3 s PHE 209 N 1.33 2.96 0.00 5.22 0.08 0.21 -1.13 117.98 126.64 2gk3 s PHE 209 Ca -0.05 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.03 2gk3 s PHE 209 Cb -0.13 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2gk3 s PHE 209 CO -0.02 0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.86 2gk3 n GLY 210 N 2.13 3.95 3.05 4.36 0.00 0.13 -0.29 105.19 118.52 2gk3 n GLY 210 Ca -0.18 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.83 0.51 -0.28 1.61 2.02 -1.26 -1.40 118.70 119.06 2gk3 s GLU 211 Ca 0.00 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 2gk3 s GLU 211 Cb 0.00 0.01 0.13 0.00 0.10 0.00 0.00 34.13 34.37 2gk3 s GLU 211 CO 0.00 -0.04 0.30 -0.47 0.02 0.00 0.00 175.26 175.06 2gk3 s TYR 212 N -2.39 -0.48 0.00 1.61 5.04 -0.66 -4.88 117.35 115.59 2gk3 s TYR 212 Ca -0.05 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2gk3 s TYR 212 Cb -0.03 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.85 2gk3 s TYR 212 CO -0.04 -0.89 0.00 1.04 -1.34 0.00 0.00 175.55 174.32 2gk3 n GLN 213 N 5.31 0.00 0.20 4.97 6.02 -1.26 -1.64 117.38 130.98 2gk3 n GLN 213 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 2gk3 n GLN 213 Cb 0.47 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.91 2gk3 n GLN 213 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2gk3 h GLN 214 N 0.00 0.00 -7.04 -1.09 4.20 -1.45 -3.47 115.11 106.25 2gk3 h GLN 214 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 2gk3 h GLN 214 Cb 0.00 0.00 0.07 0.00 0.30 0.00 0.00 27.48 27.85 2gk3 h GLN 214 CO 0.00 0.00 0.07 0.20 -0.67 0.00 0.00 178.83 178.43 2gk3 s GLY 215 N -4.16 1.78 0.07 3.46 0.00 -0.16 -4.26 107.32 104.05 2gk3 s GLY 215 Ca 0.07 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 43.43 2gk3 s GLY 215 CO 0.67 -1.00 -0.19 0.54 0.00 0.00 0.00 173.10 173.12 2gk3 s LYS 216 N -5.02 1.11 0.04 2.90 1.02 -1.19 -1.66 119.74 116.93 2gk3 s LYS 216 Ca 0.62 -1.01 0.05 0.00 0.02 0.00 0.00 55.97 55.65 2gk3 s LYS 216 Cb -0.08 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.96 2gk3 s LYS 216 CO 0.42 0.30 -0.13 0.95 -0.92 0.00 0.00 175.35 175.97 2gk3 s THR 217 N -1.04 1.06 0.02 2.17 -4.23 -0.49 -1.18 115.64 111.95 2gk3 s THR 217 Ca 0.04 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2gk3 s THR 217 Cb -0.09 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2gk3 s THR 217 CO 0.03 0.00 -0.05 0.00 -0.54 0.00 0.00 174.62 174.06 2gk3 s ALA 218 N -0.83 0.34 -0.08 3.99 0.00 0.15 -0.69 121.76 124.65 2gk3 s ALA 218 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2gk3 s ALA 218 Cb -0.08 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.08 2gk3 s ALA 218 CO 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 175.76 175.59 2gk3 n PHE 220 N 3.76 -0.17 0.00 0.00 7.35 -1.26 -1.78 117.46 125.36 2gk3 n PHE 220 Ca -0.22 -2.07 0.00 0.00 -0.76 0.00 0.00 57.45 54.40 2gk3 n PHE 220 Cb 0.52 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.99 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 -1.67 0.00 -4.92 -2.13 2.88 -1.26 -0.31 113.62 106.20 2gk3 n SER 222 Ca -0.07 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.21 2gk3 n SER 222 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 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 6.34 0.21 -3.46 -1.08 -1.25 -0.57 116.67 116.86 2gk3 s ASP 223 Ca 0.00 0.62 0.22 0.00 -0.52 0.00 0.00 52.55 52.87 2gk3 s ASP 223 Cb 0.00 -2.10 0.01 0.00 -1.46 0.00 0.00 42.92 39.37 2gk3 s ASP 223 CO 0.00 -0.31 1.06 0.00 0.52 0.00 0.00 175.17 176.44 2gk3 n SER 225 N -2.71 2.40 -4.76 0.00 3.41 -1.26 -4.79 113.62 105.90 2gk3 n SER 225 Ca -0.00 -2.17 -0.31 0.00 -0.26 0.00 0.00 58.87 56.13 2gk3 n SER 225 Cb 0.56 0.26 0.09 0.00 -0.26 0.00 0.00 64.21 64.86 2gk3 n SER 225 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2gk3 s PRO 226 N -2.94 2.32 0.09 4.33 0.02 -1.22 -0.05 135.00 137.55 2gk3 s PRO 226 Ca 0.02 1.23 0.23 0.00 0.02 0.00 0.00 61.00 62.51 2gk3 s PRO 226 Cb 0.00 -1.90 0.12 0.00 0.02 0.00 0.00 34.50 32.74 2gk3 s PRO 226 CO 0.02 -1.60 1.10 -2.39 -0.33 0.00 0.00 177.00 173.80 2gk3 n HIS 227 N -3.31 0.45 -0.25 6.54 1.44 -1.26 -4.75 115.22 114.07 2gk3 n HIS 227 Ca 0.09 0.13 -0.06 0.00 -2.01 0.00 0.00 57.72 55.87 2gk3 n HIS 227 Cb 0.53 -0.58 0.05 0.00 0.12 0.00 0.00 29.99 30.10 2gk3 n HIS 227 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 2gk3 h TRP 228 N 0.00 1.03 -3.12 -1.40 6.55 -1.90 -3.40 115.95 113.71 2gk3 h TRP 228 Ca 0.00 -0.06 -0.57 0.00 0.95 0.00 0.00 58.89 59.21 2gk3 h TRP 228 Cb 0.78 -0.31 -0.05 0.00 -0.86 0.00 0.00 29.16 28.71 2gk3 h TRP 228 CO 0.00 0.77 0.89 0.20 -1.05 0.00 0.00 178.44 179.25 2gk3 s GLY 229 N -3.17 1.56 0.56 1.49 0.00 0.92 -1.09 107.32 107.59 2gk3 s GLY 229 Ca -0.13 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.77 2gk3 s GLY 229 CO 0.81 2.40 0.79 -0.51 0.00 0.00 0.00 173.10 176.59 2gk3 s THR 230 N 3.73 2.61 0.27 0.90 -4.23 -1.26 -3.44 115.64 114.23 2gk3 s THR 230 Ca 0.50 -0.67 -0.03 0.00 -1.18 0.00 0.00 61.69 60.31 2gk3 s THR 230 Cb -0.16 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 71.00 2gk3 s THR 230 CO 0.16 0.00 1.92 1.56 -0.54 0.00 0.00 174.62 177.72 2gk3 h GLN 231 N 0.03 1.19 -0.46 3.99 1.08 -1.95 -0.17 115.11 118.81 2gk3 h GLN 231 Ca -0.41 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 56.78 2gk3 h GLN 231 Cb 1.29 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 2gk3 h GLN 231 CO 0.51 0.79 0.31 0.37 -0.95 0.00 0.00 178.83 179.85 2gk3 h GLN 232 N 1.22 0.36 -0.34 1.46 4.15 -1.95 -1.62 115.11 118.40 2gk3 h GLN 232 Ca 0.38 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2gk3 h GLN 232 Cb -0.01 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2gk3 h GLN 232 CO -0.11 0.24 0.00 0.34 -1.93 0.00 0.00 178.83 177.37 2gk3 n PHE 233 N -4.47 0.00 0.00 3.99 7.35 -0.08 -1.67 117.46 122.58 2gk3 n PHE 233 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2gk3 n PHE 233 Cb 0.26 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.05 2gk3 n PHE 233 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2gk3 n SER 235 N -0.17 0.00 -4.67 -2.13 7.64 -0.61 -4.63 113.62 109.05 2gk3 n SER 235 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 2gk3 n SER 235 Cb 0.09 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2gk3 n SER 235 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2gk3 n TRP 236 N 0.00 2.27 -0.33 1.43 -0.00 -0.67 -4.85 117.44 115.28 2gk3 n TRP 236 Ca 0.00 0.27 0.25 0.00 -0.00 0.00 0.00 57.50 58.01 2gk3 n TRP 236 Cb 0.00 -2.54 0.54 0.00 -0.00 0.00 0.00 31.31 29.30 2gk3 n TRP 236 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2gk3 h PRO 237 N 6.00 0.33 -0.70 5.87 0.13 -1.89 -1.93 132.00 139.80 2gk3 h PRO 237 Ca -0.45 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2gk3 h PRO 237 Cb 1.26 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2gk3 h PRO 237 CO 0.89 0.22 0.04 1.19 -0.23 0.00 0.00 178.00 180.10 2gk3 n PHE 238 N -4.60 1.70 -0.01 1.56 3.72 -1.26 -4.56 117.46 114.01 2gk3 n PHE 238 Ca 0.26 -0.64 -0.12 0.00 -0.05 0.00 0.00 57.45 56.90 2gk3 n PHE 238 Cb 0.94 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.95 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 2.98 0.11 -0.46 1.38 3.20 -1.61 -2.23 116.97 120.34 2gk3 h TYR 239 Ca 0.04 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2gk3 h TYR 239 Cb 1.73 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.95 2gk3 h TYR 239 CO 0.89 0.35 -0.17 1.15 -1.64 0.00 0.00 178.16 178.74 2gk3 h THR 240 N -0.17 1.27 -0.17 1.81 2.02 -1.83 -2.86 112.91 112.97 2gk3 h THR 240 Ca 0.02 -1.30 -0.10 0.00 0.77 0.00 0.00 66.41 65.80 2gk3 h THR 240 Cb 0.31 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2gk3 h THR 240 CO 0.00 0.45 -0.31 0.44 0.37 0.00 0.00 175.52 176.46 2gk3 h ASP 241 N 0.78 0.35 0.43 4.18 3.32 -1.86 -1.19 116.42 122.43 2gk3 h ASP 241 Ca 0.11 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2gk3 h ASP 241 Cb 0.71 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2gk3 h ASP 241 CO 0.05 0.65 -0.36 0.25 -1.72 0.00 0.00 179.24 178.12 2gk3 h LEU 242 N 0.30 -0.96 -0.29 1.55 5.85 -1.16 0.56 115.31 121.16 2gk3 h LEU 242 Ca 0.04 0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 2gk3 h LEU 242 Cb 0.71 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2gk3 h LEU 242 CO 0.05 -0.52 -0.59 -0.50 -0.34 0.00 0.00 178.44 176.54 2gk3 h TRP 243 N -0.79 1.06 -0.05 1.25 4.06 -1.48 -0.05 115.95 119.95 2gk3 h TRP 243 Ca -0.04 -0.39 -0.00 0.00 2.06 0.00 0.00 58.89 60.51 2gk3 h TRP 243 Cb 0.69 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 2gk3 h TRP 243 CO -0.17 1.22 0.02 0.28 -3.56 0.00 0.00 178.44 176.22 2gk3 h VAL 244 N 0.63 1.13 -0.66 1.49 2.07 -1.23 -2.47 116.25 117.21 2gk3 h VAL 244 Ca 0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2gk3 h VAL 244 Cb 1.20 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2gk3 h VAL 244 CO 0.13 0.11 0.36 0.78 0.02 0.00 0.00 177.57 178.96 2gk3 h ASN 245 N -0.08 0.81 0.00 0.57 2.35 0.25 -1.19 115.58 118.29 2gk3 h ASN 245 Ca 0.02 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 2gk3 h ASN 245 Cb 0.16 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2gk3 h ASN 245 CO -0.00 0.65 -0.53 0.71 -1.65 0.00 0.00 177.43 176.61 2gk3 h THR 246 N 0.91 1.32 -0.20 2.81 1.35 -0.96 -0.53 112.91 117.61 2gk3 h THR 246 Ca 0.23 -1.76 -0.13 0.00 -0.55 0.00 0.00 66.41 64.20 2gk3 h THR 246 Cb 0.02 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2gk3 h THR 246 CO -0.04 0.55 -0.41 -0.07 -0.25 0.00 0.00 175.52 175.30 2gk3 h LEU 247 N 0.45 0.50 -0.41 3.87 3.38 -1.20 -2.66 115.31 119.24 2gk3 h LEU 247 Ca 0.01 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 2gk3 h LEU 247 Cb 1.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2gk3 h LEU 247 CO 0.10 0.86 -0.34 -0.61 0.09 0.00 0.00 178.44 178.54 2gk3 h GLN 248 N 0.39 0.96 -0.22 1.13 5.75 -1.07 -1.09 115.11 120.96 2gk3 h GLN 248 Ca 0.03 -0.48 -0.05 0.00 -0.15 0.00 0.00 58.65 58.00 2gk3 h GLN 248 Cb 0.89 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 2gk3 h GLN 248 CO 0.08 1.14 -0.10 0.35 -2.65 0.00 0.00 178.83 177.64 2gk3 h PHE 249 N 0.79 0.37 -0.01 3.99 3.57 -0.96 -3.12 116.94 121.57 2gk3 h PHE 249 Ca 0.08 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2gk3 h PHE 249 Cb 0.93 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2gk3 h PHE 249 CO 0.06 0.46 -0.45 0.44 -2.23 0.00 0.00 178.31 176.59 2gk3 n ILE 250 N -4.26 0.00 -1.67 1.41 -5.35 -1.01 -5.00 119.36 103.48 2gk3 n ILE 250 Ca 0.00 -0.28 -0.41 0.00 -0.27 0.00 0.00 62.75 61.79 2gk3 n ILE 250 Cb 0.28 1.16 0.01 0.00 -1.74 0.00 0.00 39.64 39.35 2gk3 n ILE 250 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gk3 n ALA 251 N -0.35 0.89 -1.61 -1.28 0.00 -0.42 -3.60 120.51 114.14 2gk3 n ALA 251 Ca 0.06 0.26 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 2gk3 n ALA 251 Cb 0.34 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 2gk3 n ALA 251 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2gk3 n ARG 252 N 0.12 1.46 0.00 0.00 0.63 -0.74 -4.84 116.66 113.29 2gk3 n ARG 252 Ca 0.08 0.51 0.11 0.00 -0.92 0.00 0.00 57.85 57.63 2gk3 n ARG 252 Cb 0.39 -1.92 0.09 0.00 0.45 0.00 0.00 32.46 31.47 2gk3 n ARG 252 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29