#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5g s VAL 9 N 0.00 5.08 -0.07 1.69 1.01 -1.25 -4.99 120.40 121.87 1k5g s VAL 9 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.91 1k5g s VAL 9 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1k5g s VAL 9 CO 0.00 0.48 -0.20 -1.10 0.00 0.00 0.00 175.10 174.28 1k5g s GLN 10 N -0.37 2.75 -0.04 2.72 -0.21 -1.26 -0.29 119.66 122.95 1k5g s GLN 10 Ca 0.24 -0.80 0.05 0.00 0.02 0.00 0.00 55.36 54.87 1k5g s GLN 10 Cb -0.16 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.51 1k5g s GLN 10 CO 0.12 0.40 -0.20 -0.06 -2.12 0.00 0.00 175.29 173.43 1k5g s PHE 11 N -0.18 1.97 -0.58 0.91 0.08 0.93 -4.97 117.98 116.16 1k5g s PHE 11 Ca -0.02 -0.54 -0.18 0.00 0.12 0.00 0.00 56.93 56.31 1k5g s PHE 11 Cb -0.14 -1.31 0.10 0.00 -0.57 0.00 0.00 43.02 41.11 1k5g s PHE 11 CO 0.03 -0.16 0.67 0.21 -0.10 0.00 0.00 175.22 175.87 1k5g s LYS 12 N -0.12 3.04 -0.23 0.44 2.20 -1.26 0.58 119.74 124.39 1k5g s LYS 12 Ca -0.02 -1.35 -0.10 0.00 -0.36 0.00 0.00 55.97 54.14 1k5g s LYS 12 Cb -0.12 -4.26 -0.05 0.00 -1.51 0.00 0.00 37.83 31.90 1k5g s LYS 12 CO 0.02 -1.48 0.16 -1.17 -0.36 0.00 0.00 175.35 172.51 1k5g s LEU 13 N 2.52 4.14 -0.30 5.43 2.96 -1.15 -0.81 118.68 131.47 1k5g s LEU 13 Ca 0.10 0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 1k5g s LEU 13 Cb -0.25 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1k5g s LEU 13 CO 0.06 0.10 0.42 -0.69 -1.32 0.00 0.00 176.35 174.92 1k5g s VAL 14 N 0.85 5.12 -0.25 1.68 1.01 -0.66 0.09 120.40 128.24 1k5g s VAL 14 Ca 0.08 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1k5g s VAL 14 Cb -0.13 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1k5g s VAL 14 CO 0.03 0.01 0.23 -0.22 0.00 0.00 0.00 175.10 175.14 1k5g s LEU 15 N 2.16 4.07 0.14 3.92 2.96 -0.50 -0.60 118.68 130.84 1k5g s LEU 15 Ca 0.16 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1k5g s LEU 15 Cb -0.16 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1k5g s LEU 15 CO 0.11 -0.03 0.05 0.54 -1.32 0.00 0.00 176.35 175.70 1k5g s VAL 16 N 1.48 0.21 0.00 1.68 0.11 -0.45 -2.00 120.40 121.43 1k5g s VAL 16 Ca 0.10 -1.92 0.00 0.00 -2.93 0.00 0.00 61.98 57.22 1k5g s VAL 16 Cb -0.15 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1k5g s VAL 16 CO 0.08 -0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.00 1k5g n GLY 17 N -0.12 3.17 3.64 6.54 0.00 -1.26 -1.04 105.19 116.12 1k5g n GLY 17 Ca -0.06 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1k5g n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k5g n ASP 18 N 0.00 0.98 -4.77 1.61 9.92 -1.24 -3.91 116.55 119.13 1k5g n ASP 18 Ca 0.00 0.75 -0.38 0.00 -0.53 0.00 0.00 54.79 54.63 1k5g n ASP 18 Cb 0.00 -1.44 -0.00 0.00 -0.64 0.00 0.00 41.12 39.04 1k5g n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1k5g s GLY 19 N -1.46 2.82 -0.36 0.44 0.00 -1.19 -3.49 107.32 104.08 1k5g s GLY 19 Ca 0.77 1.03 0.00 0.00 0.00 0.00 0.00 44.72 46.52 1k5g s GLY 19 CO 0.46 1.52 0.00 0.61 0.00 0.00 0.00 173.10 175.69 1k5g n GLY 20 N 0.54 0.42 0.12 0.20 0.00 -1.26 -4.95 105.19 100.26 1k5g n GLY 20 Ca 0.07 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 1k5g n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k5g n THR 21 N -3.51 1.47 0.00 2.61 -2.24 -1.23 -4.95 114.28 106.44 1k5g n THR 21 Ca -0.04 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1k5g n THR 21 Cb 0.35 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1k5g n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5g n GLY 22 N 2.15 -0.49 0.37 3.38 0.00 -1.26 -4.74 105.19 104.60 1k5g n GLY 22 Ca -0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1k5g n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k5g h LYS 23 N 0.00 -0.14 0.28 1.61 1.57 -1.95 0.43 116.57 118.37 1k5g h LYS 23 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1k5g h LYS 23 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1k5g h LYS 23 CO 0.00 -0.09 -0.13 1.79 -0.57 0.00 0.00 179.45 180.44 1k5g h THR 24 N -0.15 0.76 -0.77 -0.16 1.35 -1.97 -1.18 112.91 110.80 1k5g h THR 24 Ca 0.10 -0.32 0.15 0.00 -0.55 0.00 0.00 66.41 65.80 1k5g h THR 24 Cb 0.42 0.94 -0.14 0.00 -1.73 0.00 0.00 68.15 67.63 1k5g h THR 24 CO -0.67 0.07 -0.24 0.74 -0.25 0.00 0.00 175.52 175.17 1k5g h THR 25 N -0.54 0.18 0.47 6.82 2.02 -1.76 1.06 112.91 121.16 1k5g h THR 25 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1k5g h THR 25 Cb 0.40 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1k5g h THR 25 CO 0.06 0.00 -0.44 0.15 0.37 0.00 0.00 175.52 175.66 1k5g h PHE 26 N -0.03 -1.20 -0.95 3.16 3.57 -0.01 -0.99 116.94 120.49 1k5g h PHE 26 Ca 0.35 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.93 1k5g h PHE 26 Cb 0.57 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 1k5g h PHE 26 CO -0.65 -0.61 0.61 0.28 -2.23 0.00 0.00 178.31 175.72 1k5g h VAL 27 N -0.92 1.05 0.27 1.41 2.07 0.28 -2.09 116.25 118.33 1k5g h VAL 27 Ca -0.05 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1k5g h VAL 27 Cb 0.80 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1k5g h VAL 27 CO -0.05 0.19 -0.17 0.50 0.02 0.00 0.00 177.57 178.07 1k5g h LYS 28 N 1.07 -0.40 -0.98 1.57 1.63 0.15 -2.46 116.57 117.15 1k5g h LYS 28 Ca 0.42 0.03 0.29 0.00 -0.85 0.00 0.00 60.65 60.54 1k5g h LYS 28 Cb 0.23 0.09 -0.18 0.00 -0.60 0.00 0.00 32.23 31.77 1k5g h LYS 28 CO -0.17 -0.27 0.14 -0.09 -3.45 0.00 0.00 179.45 175.62 1k5g h ARG 29 N -0.41 0.03 0.00 1.90 2.43 -1.02 1.16 114.38 118.46 1k5g h ARG 29 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1k5g h ARG 29 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1k5g h ARG 29 CO 0.03 0.02 0.00 0.72 -1.51 0.00 0.00 179.97 179.23 1k5g n HIS 30 N -5.42 0.00 -0.61 2.20 8.25 -0.80 0.99 115.22 119.83 1k5g n HIS 30 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1k5g n HIS 30 Cb 0.84 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1k5g n HIS 30 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1k5g n LEU 31 N -1.30 0.77 0.00 2.41 -0.00 0.39 -4.83 117.00 114.44 1k5g n LEU 31 Ca 0.03 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.27 1k5g n LEU 31 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1k5g n LEU 31 CO 0.04 0.19 0.00 0.41 -0.00 0.00 0.00 177.39 178.03 1k5g n THR 32 N -0.19 0.00 0.00 1.47 -1.04 -0.81 -5.01 114.28 108.70 1k5g n THR 32 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1k5g n THR 32 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1k5g n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k5g n GLY 33 N 0.04 2.35 3.77 3.41 0.00 0.28 -5.01 105.19 110.03 1k5g n GLY 33 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1k5g n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k5g s GLU 34 N -0.45 3.70 -0.76 1.61 -1.05 -1.26 -4.85 118.70 115.64 1k5g s GLU 34 Ca 0.00 1.72 -0.11 0.00 -0.15 0.00 0.00 54.97 56.43 1k5g s GLU 34 Cb 0.00 -2.33 0.20 0.00 -0.44 0.00 0.00 34.13 31.56 1k5g s GLU 34 CO 0.00 -0.59 0.67 0.12 0.95 0.00 0.00 175.26 176.41 1k5g s PHE 35 N -1.61 3.65 -0.29 4.83 5.36 -1.26 -3.28 117.98 125.39 1k5g s PHE 35 Ca 0.65 -2.15 -0.28 0.00 -0.96 0.00 0.00 56.93 54.19 1k5g s PHE 35 Cb -0.27 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 38.71 1k5g s PHE 35 CO 0.32 -0.95 2.07 -2.00 -1.46 0.00 0.00 175.22 173.20 1k5g s GLU 36 N 0.17 3.11 0.04 10.12 2.56 -1.26 -4.80 118.70 128.64 1k5g s GLU 36 Ca 0.17 1.72 0.25 0.00 0.00 0.00 0.00 54.97 57.11 1k5g s GLU 36 Cb -0.14 -4.33 0.44 0.00 2.00 0.00 0.00 34.13 32.11 1k5g s GLU 36 CO -0.07 -2.13 1.37 0.36 -0.56 0.00 0.00 175.26 174.24 1k5g n LYS 37 N 8.68 0.12 -3.10 4.30 2.85 -1.26 -4.85 118.16 124.90 1k5g n LYS 37 Ca 0.28 0.03 -0.39 0.00 -1.05 0.00 0.00 58.31 57.17 1k5g n LYS 37 Cb 0.47 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.23 1k5g n LYS 37 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1k5g s LYS 38 N -3.07 4.42 -0.57 -1.58 -0.14 -1.26 -5.01 119.74 112.53 1k5g s LYS 38 Ca 0.09 0.80 -0.26 0.00 -1.36 0.00 0.00 55.97 55.24 1k5g s LYS 38 Cb 0.16 -3.44 0.04 0.00 -1.68 0.00 0.00 37.83 32.90 1k5g s LYS 38 CO 0.71 0.09 1.04 -0.47 -0.76 0.00 0.00 175.35 175.96 1k5g s TYR 39 N 0.73 2.71 -0.37 3.18 5.04 -1.26 -4.98 117.35 122.41 1k5g s TYR 39 Ca 0.35 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.15 1k5g s TYR 39 Cb -0.17 -4.25 0.11 0.00 0.35 0.00 0.00 41.96 37.99 1k5g s TYR 39 CO 0.17 -1.45 0.12 0.08 -1.34 0.00 0.00 175.55 173.13 1k5g s VAL 40 N 4.36 1.68 -0.04 3.14 1.01 -1.26 -5.09 120.40 124.20 1k5g s VAL 40 Ca 0.35 -2.16 -0.38 0.00 0.00 0.00 0.00 61.98 59.79 1k5g s VAL 40 Cb -0.11 -2.23 -0.19 0.00 0.00 0.00 0.00 36.38 33.86 1k5g s VAL 40 CO 0.21 -0.70 1.04 0.00 0.00 0.00 0.00 175.10 175.65 1k5g n ALA 41 N 4.21 -3.30 -2.74 5.51 0.00 -1.26 -4.88 120.51 118.05 1k5g n ALA 41 Ca 0.03 0.56 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 1k5g n ALA 41 Cb 0.40 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 1k5g n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k5g s THR 42 N 0.21 4.24 0.07 0.00 2.01 -1.26 -5.01 115.64 115.90 1k5g s THR 42 Ca 0.86 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.75 1k5g s THR 42 Cb -1.21 -4.88 -0.09 0.00 0.01 0.00 0.00 72.50 66.34 1k5g s THR 42 CO 0.55 -1.70 1.74 -0.76 -0.69 0.00 0.00 174.62 173.76 1k5g s LEU 43 N 4.14 4.38 0.00 4.42 1.02 -1.26 -4.22 118.68 127.17 1k5g s LEU 43 Ca 0.36 2.57 0.00 0.00 0.02 0.00 0.00 54.13 57.07 1k5g s LEU 43 Cb -0.06 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.59 1k5g s LEU 43 CO -0.03 -0.94 0.00 0.61 0.02 0.00 0.00 176.35 176.01 1k5g n GLY 44 N 4.13 1.47 3.30 -3.19 0.00 -1.26 -4.70 105.19 104.95 1k5g n GLY 44 Ca 0.17 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1k5g n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k5g s VAL 45 N 0.00 -0.02 -0.22 1.61 0.11 -1.26 -2.07 120.40 118.55 1k5g s VAL 45 Ca 0.00 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.09 1k5g s VAL 45 Cb 0.00 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1k5g s VAL 45 CO 0.00 0.03 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.11 1k5g s GLU 46 N 1.08 3.08 -0.42 1.54 2.02 -0.52 -4.98 118.70 120.51 1k5g s GLU 46 Ca -0.07 -0.81 -0.23 0.00 0.02 0.00 0.00 54.97 53.89 1k5g s GLU 46 Cb -0.07 -2.92 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1k5g s GLU 46 CO -0.09 -0.28 0.76 0.08 0.02 0.00 0.00 175.26 175.74 1k5g s VAL 47 N 1.38 4.71 -0.15 2.63 1.01 -1.26 -1.94 120.40 126.78 1k5g s VAL 47 Ca 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1k5g s VAL 47 Cb -0.15 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1k5g s VAL 47 CO -0.06 -0.60 -0.06 -1.00 0.00 0.00 0.00 175.10 173.39 1k5g s HIS 48 N 3.15 2.96 -0.15 5.22 3.76 -0.42 -4.98 115.29 124.83 1k5g s HIS 48 Ca 0.29 -0.43 -0.09 0.00 -0.15 0.00 0.00 55.06 54.68 1k5g s HIS 48 Cb -0.13 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 1k5g s HIS 48 CO 0.20 -0.12 0.15 -1.25 -0.85 0.00 0.00 174.74 172.88 1k5g s PRO 49 N 0.43 3.81 -0.05 8.40 0.04 -1.26 -0.90 135.00 145.48 1k5g s PRO 49 Ca -0.05 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 60.89 1k5g s PRO 49 Cb -0.15 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1k5g s PRO 49 CO 0.03 0.55 -0.19 -0.51 0.04 0.00 0.00 177.00 176.92 1k5g s LEU 50 N -0.37 1.96 0.04 -3.56 1.43 0.38 -4.97 118.68 113.59 1k5g s LEU 50 Ca 0.12 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1k5g s LEU 50 Cb -0.12 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1k5g s LEU 50 CO 0.02 0.18 -0.13 0.68 0.23 0.00 0.00 176.35 177.33 1k5g s VAL 51 N -0.03 3.18 0.03 -1.59 -7.23 -1.26 0.25 120.40 113.76 1k5g s VAL 51 Ca -0.03 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 1k5g s VAL 51 Cb -0.12 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 1k5g s VAL 51 CO 0.02 0.31 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.69 1k5g s PHE 52 N -1.00 0.65 -0.15 2.82 0.08 -0.23 -4.99 117.98 115.16 1k5g s PHE 52 Ca 0.17 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 1k5g s PHE 52 Cb -0.11 -0.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1k5g s PHE 52 CO 0.08 -0.06 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.12 1k5g s HIS 53 N -1.11 3.10 0.41 0.36 3.76 -1.26 -1.02 115.29 119.54 1k5g s HIS 53 Ca -0.07 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1k5g s HIS 53 Cb -0.08 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1k5g s HIS 53 CO 0.00 0.09 0.06 0.95 -0.85 0.00 0.00 174.74 175.00 1k5g s THR 54 N 0.17 1.11 -1.51 1.30 -4.23 -0.61 -0.11 115.64 111.75 1k5g s THR 54 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1k5g s THR 54 Cb -0.13 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.46 1k5g s THR 54 CO 0.02 0.00 1.36 -0.46 -0.54 0.00 0.00 174.62 175.00 1k5g n ASN 55 N -1.08 0.00 -0.59 3.99 6.94 -1.09 -1.87 115.26 121.56 1k5g n ASN 55 Ca -0.08 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.54 1k5g n ASN 55 Cb 0.66 -0.24 0.20 0.00 -2.36 0.00 0.00 39.78 38.04 1k5g n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1k5g n ARG 56 N -1.24 1.58 0.00 -3.83 1.74 -1.26 -5.09 116.66 108.56 1k5g n ARG 56 Ca 0.07 -3.24 0.00 0.00 -0.77 0.00 0.00 57.85 53.91 1k5g n ARG 56 Cb 0.10 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1k5g n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k5g n GLY 57 N -1.14 0.54 3.77 -0.13 0.00 -0.78 -4.97 105.19 102.47 1k5g n GLY 57 Ca 0.20 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1k5g n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k5g s PRO 58 N -1.49 4.39 0.11 1.61 0.04 -1.26 -1.57 135.00 136.82 1k5g s PRO 58 Ca 0.00 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.04 1k5g s PRO 58 Cb 0.00 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1k5g s PRO 58 CO 0.00 0.46 -0.21 0.96 0.04 0.00 0.00 177.00 178.25 1k5g s ILE 59 N -0.60 1.77 -0.19 0.56 -4.36 -0.18 -3.87 121.20 114.33 1k5g s ILE 59 Ca 0.33 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1k5g s ILE 59 Cb -0.20 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 41.93 1k5g s ILE 59 CO 0.21 -0.06 -0.16 -0.75 0.24 0.00 0.00 174.94 174.42 1k5g s LYS 60 N -1.96 2.59 -0.17 0.37 2.20 0.61 -1.06 119.74 122.32 1k5g s LYS 60 Ca 0.07 -0.86 -0.19 0.00 -0.36 0.00 0.00 55.97 54.64 1k5g s LYS 60 Cb -0.10 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1k5g s LYS 60 CO 0.04 -0.30 0.55 -0.06 -0.36 0.00 0.00 175.35 175.22 1k5g s PHE 61 N 1.32 3.43 -1.11 4.03 2.99 0.14 -0.05 117.98 128.72 1k5g s PHE 61 Ca 0.02 0.88 -0.10 0.00 0.00 0.00 0.00 56.93 57.73 1k5g s PHE 61 Cb -0.15 -2.69 0.26 0.00 0.00 0.00 0.00 43.02 40.45 1k5g s PHE 61 CO -0.11 -0.04 1.14 -0.80 -0.00 0.00 0.00 175.22 175.42 1k5g s ASN 62 N 1.00 7.26 -0.20 1.36 0.01 0.20 -0.47 114.94 124.11 1k5g s ASN 62 Ca 0.27 -3.47 -0.28 0.00 -0.71 0.00 0.00 52.86 48.67 1k5g s ASN 62 Cb -0.16 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1k5g s ASN 62 CO 0.11 -0.37 2.16 -0.69 -1.51 0.00 0.00 177.10 176.80 1k5g s VAL 63 N -0.80 3.05 -0.85 1.60 1.01 -0.08 -2.92 120.40 121.41 1k5g s VAL 63 Ca 0.32 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 1k5g s VAL 63 Cb -0.09 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.36 1k5g s VAL 63 CO -0.07 -0.03 1.03 0.26 0.00 0.00 0.00 175.10 176.28 1k5g s TRP 64 N 7.74 3.11 -0.07 5.22 0.52 0.11 -1.31 118.94 134.27 1k5g s TRP 64 Ca 0.97 -1.30 -0.30 0.00 0.02 0.00 0.00 56.10 55.50 1k5g s TRP 64 Cb -0.33 -4.21 -0.04 0.00 -1.15 0.00 0.00 33.47 27.74 1k5g s TRP 64 CO 0.36 -1.44 1.38 0.34 0.02 0.00 0.00 176.95 177.60 1k5g s ASP 65 N 3.49 6.87 0.44 2.95 -1.08 -0.82 -1.42 116.67 127.11 1k5g s ASP 65 Ca 0.28 1.97 0.07 0.00 -0.52 0.00 0.00 52.55 54.35 1k5g s ASP 65 Cb -0.09 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1k5g s ASP 65 CO -0.05 -0.75 0.30 0.42 0.52 0.00 0.00 175.17 175.61 1k5g s THR 66 N 3.00 2.33 -0.25 1.71 -4.23 -0.84 -1.44 115.64 115.91 1k5g s THR 66 Ca 0.62 -1.51 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 1k5g s THR 66 Cb -0.28 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1k5g s THR 66 CO 0.23 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 174.67 1k5g s ALA 67 N -2.58 3.57 -1.22 3.99 0.00 -0.88 -4.87 121.76 119.76 1k5g s ALA 67 Ca 0.43 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1k5g s ALA 67 Cb -0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1k5g s ALA 67 CO 0.24 -0.50 0.41 0.41 0.00 0.00 0.00 175.76 176.32 1k5g n GLY 68 N 4.42 0.64 0.24 0.00 0.00 -1.25 -3.33 105.19 105.90 1k5g n GLY 68 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1k5g n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k5g n GLN 69 N 0.01 0.46 -1.33 1.61 3.00 -1.26 -3.16 117.38 116.72 1k5g n GLN 69 Ca 0.00 0.16 -0.60 0.00 -0.01 0.00 0.00 57.00 56.54 1k5g n GLN 69 Cb 0.13 -1.31 -0.11 0.00 0.00 0.00 0.00 30.24 28.95 1k5g n GLN 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1k5g n GLU 70 N -3.55 0.00 -1.75 -1.09 1.02 -1.21 -4.83 120.64 109.24 1k5g n GLU 70 Ca -0.38 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.34 1k5g n GLU 70 Cb 0.83 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1k5g n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1k5g n LYS 71 N 6.56 2.47 -1.87 3.49 5.02 -1.26 -4.90 118.16 127.67 1k5g n LYS 71 Ca 0.48 0.87 -0.41 0.00 -2.02 0.00 0.00 58.31 57.23 1k5g n LYS 71 Cb -0.04 -2.54 -0.01 0.00 -0.02 0.00 0.00 35.03 32.41 1k5g n LYS 71 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k5g s PHE 72 N -1.05 2.77 -2.27 2.13 0.40 -1.26 -4.80 117.98 113.89 1k5g s PHE 72 Ca 0.55 1.06 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 1k5g s PHE 72 Cb -0.51 -3.96 0.00 0.00 0.51 0.00 0.00 43.02 39.06 1k5g s PHE 72 CO 0.63 -2.97 0.00 0.41 0.70 0.00 0.00 175.22 173.99 1k5g n GLY 73 N 1.32 -1.51 0.29 4.36 0.00 -1.26 -4.96 105.19 103.42 1k5g n GLY 73 Ca 0.04 -1.05 0.18 0.00 0.00 0.00 0.00 46.02 45.19 1k5g n GLY 73 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k5g h GLY 74 N 0.00 0.00 2.00 -0.02 0.00 -1.98 -2.18 103.07 100.89 1k5g h GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k5g h GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1k5g n LEU 75 N -3.10 0.45 0.01 3.11 4.77 -1.26 -1.23 117.00 119.74 1k5g n LEU 75 Ca 0.00 0.67 0.11 0.00 -0.03 0.00 0.00 56.01 56.76 1k5g n LEU 75 Cb 0.27 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1k5g n LEU 75 CO 0.26 -0.72 -0.32 0.54 -1.33 0.00 0.00 177.39 175.82 1k5g n ARG 76 N -2.06 0.38 -0.20 3.23 1.74 -0.82 -4.60 116.66 114.33 1k5g n ARG 76 Ca 0.00 -0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.09 1k5g n ARG 76 Cb 0.09 -1.55 0.17 0.00 -1.02 0.00 0.00 32.46 30.15 1k5g n ARG 76 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1k5g n ASP 77 N -1.99 -0.07 -0.28 0.55 10.43 -0.37 -0.78 116.55 124.04 1k5g n ASP 77 Ca -0.00 0.99 0.06 0.00 2.57 0.00 0.00 54.79 58.41 1k5g n ASP 77 Cb 0.47 -0.36 0.16 0.00 1.84 0.00 0.00 41.12 43.23 1k5g n ASP 77 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1k5g h GLY 78 N 0.00 0.84 0.86 0.44 0.00 -1.81 0.03 103.07 103.44 1k5g h GLY 78 Ca 0.35 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1k5g h GLY 78 CO -0.55 -0.33 -0.09 -0.97 0.00 0.00 0.00 176.54 174.60 1k5g h TYR 79 N 0.06 -0.23 -0.32 5.60 0.05 -1.32 -3.27 116.97 117.54 1k5g h TYR 79 Ca 0.44 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.23 1k5g h TYR 79 Cb 0.77 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1k5g h TYR 79 CO -0.49 -0.03 0.17 1.88 -1.05 0.00 0.00 178.16 178.64 1k5g h TYR 80 N -0.39 0.32 -1.65 4.88 0.99 -1.42 -3.43 116.97 116.28 1k5g h TYR 80 Ca -0.03 0.01 -0.60 0.00 2.00 0.00 0.00 58.73 60.12 1k5g h TYR 80 Cb 0.30 -0.10 0.15 0.00 1.00 0.00 0.00 36.73 38.09 1k5g h TYR 80 CO -0.02 0.18 -0.93 -0.89 -0.00 0.00 0.00 178.16 176.50 1k5g n ILE 81 N -4.93 0.55 -1.07 -2.88 2.08 -0.08 -1.62 119.36 111.41 1k5g n ILE 81 Ca -0.00 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.83 1k5g n ILE 81 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 1k5g n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1k5g n GLN 82 N 1.30 -1.14 -1.04 0.38 6.02 -1.26 -4.90 117.38 116.74 1k5g n GLN 82 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 1k5g n GLN 82 Cb 0.39 -3.59 0.21 0.00 1.02 0.00 0.00 30.24 28.27 1k5g n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k5g s ALA 83 N -1.00 0.57 0.00 -1.58 0.00 -0.64 -4.78 121.76 114.33 1k5g s ALA 83 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1k5g s ALA 83 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1k5g s ALA 83 CO 0.00 -3.24 0.15 1.04 0.00 0.00 0.00 175.76 173.71 1k5g n GLN 84 N -4.48 0.00 0.00 0.00 6.02 0.01 -4.93 117.38 114.00 1k5g n GLN 84 Ca 0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1k5g n GLN 84 Cb 0.58 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.31 1k5g n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k5g s ALA 86 N -2.00 -1.97 -0.05 0.00 0.00 -0.98 -1.66 121.76 115.10 1k5g s ALA 86 Ca 0.00 0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1k5g s ALA 86 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1k5g s ALA 86 CO 0.00 -0.79 -0.05 0.42 0.00 0.00 0.00 175.76 175.34 1k5g s ILE 87 N -2.77 0.59 -0.17 0.00 1.01 0.23 -2.33 121.20 117.76 1k5g s ILE 87 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1k5g s ILE 87 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1k5g s ILE 87 CO -0.05 0.24 0.03 -0.63 0.00 0.00 0.00 174.94 174.53 1k5g s ILE 88 N 0.99 4.48 0.12 2.92 1.01 -0.78 -1.35 121.20 128.59 1k5g s ILE 88 Ca -0.10 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.51 1k5g s ILE 88 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1k5g s ILE 88 CO -0.00 0.47 -0.25 -0.32 0.00 0.00 0.00 174.94 174.84 1k5g s MET 89 N 0.35 1.34 0.07 2.79 1.75 -0.21 -1.07 119.30 124.33 1k5g s MET 89 Ca 0.01 -1.27 -0.13 0.00 -1.25 0.00 0.00 55.69 53.04 1k5g s MET 89 Cb -0.13 -1.74 0.02 0.00 2.84 0.00 0.00 34.83 35.82 1k5g s MET 89 CO 0.01 0.41 0.31 -0.59 -0.65 0.00 0.00 175.02 174.51 1k5g s PHE 90 N -1.07 -0.08 -0.38 4.11 -0.12 -0.31 -3.71 117.98 116.41 1k5g s PHE 90 Ca 0.11 -0.16 -0.19 0.00 -0.05 0.00 0.00 56.93 56.65 1k5g s PHE 90 Cb -0.10 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.41 1k5g s PHE 90 CO 0.05 -0.57 0.57 0.34 -0.05 0.00 0.00 175.22 175.56 1k5g s ASP 91 N -2.42 6.33 0.48 1.98 3.68 -1.26 -0.43 116.67 125.01 1k5g s ASP 91 Ca -0.01 -0.15 0.15 0.00 2.13 0.00 0.00 52.55 54.67 1k5g s ASP 91 Cb 0.01 -2.29 0.81 0.00 -1.45 0.00 0.00 42.92 40.00 1k5g s ASP 91 CO -0.07 -0.60 1.38 0.58 0.13 0.00 0.00 175.17 176.59 1k5g h VAL 92 N 5.71 0.00 -0.46 1.11 2.07 -1.59 0.87 116.25 123.96 1k5g h VAL 92 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1k5g h VAL 92 Cb 1.11 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1k5g h VAL 92 CO 0.82 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.76 1k5g n THR 93 N -2.34 0.72 -3.88 2.57 -2.24 -1.26 -1.48 114.28 106.37 1k5g n THR 93 Ca -0.01 -0.86 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 1k5g n THR 93 Cb 0.49 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 1k5g n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k5g s SER 94 N -1.18 4.37 0.18 3.42 0.15 0.30 -4.72 113.70 116.22 1k5g s SER 94 Ca 0.36 -1.85 -0.13 0.00 0.70 0.00 0.00 55.95 55.03 1k5g s SER 94 Cb 0.20 -1.25 0.13 0.00 -1.71 0.00 0.00 66.02 63.40 1k5g s SER 94 CO 0.27 -0.39 1.79 -0.09 1.20 0.00 0.00 173.24 176.03 1k5g h ARG 95 N 7.85 0.53 -1.01 5.44 2.43 -1.87 -1.61 114.38 126.15 1k5g h ARG 95 Ca -0.09 -0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.27 1k5g h ARG 95 Cb 1.02 -0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.34 1k5g h ARG 95 CO 0.49 0.35 0.61 0.28 -1.51 0.00 0.00 179.97 180.19 1k5g h VAL 96 N 0.54 0.61 -0.01 0.20 2.07 -1.93 0.68 116.25 118.42 1k5g h VAL 96 Ca 0.22 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1k5g h VAL 96 Cb 0.11 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1k5g h VAL 96 CO -0.14 0.12 -0.47 0.00 0.02 0.00 0.00 177.57 177.09 1k5g h THR 97 N 0.65 1.34 0.09 2.57 1.03 -1.61 -3.02 112.91 113.95 1k5g h THR 97 Ca 0.61 -1.63 -0.14 0.00 -0.01 0.00 0.00 66.41 65.24 1k5g h THR 97 Cb 1.10 1.87 0.02 0.00 -1.07 0.00 0.00 68.15 70.07 1k5g h THR 97 CO -0.41 0.47 -0.61 0.22 -0.01 0.00 0.00 175.52 175.17 1k5g h TYR 98 N 0.01 0.45 -0.19 0.00 3.20 -0.68 -3.20 116.97 116.56 1k5g h TYR 98 Ca -0.00 -0.31 0.06 0.00 3.14 0.00 0.00 58.73 61.62 1k5g h TYR 98 Cb 0.84 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1k5g h TYR 98 CO 0.00 1.20 0.41 0.87 -1.64 0.00 0.00 178.16 179.01 1k5g h LYS 99 N -0.43 0.00 0.00 1.82 6.56 -1.08 0.21 116.57 123.65 1k5g h LYS 99 Ca -0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1k5g h LYS 99 Cb 1.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1k5g h LYS 99 CO 0.12 0.00 -0.45 0.09 -2.06 0.00 0.00 179.45 177.15 1k5g n ASN 100 N -3.24 0.56 -0.20 0.86 4.13 -1.15 -4.26 115.26 111.96 1k5g n ASN 100 Ca 0.02 0.09 -0.02 0.00 1.68 0.00 0.00 54.58 56.36 1k5g n ASN 100 Cb 0.52 0.02 0.05 0.00 -1.54 0.00 0.00 39.78 38.83 1k5g n ASN 100 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1k5g h VAL 101 N 0.00 0.34 -0.73 2.41 2.07 -0.67 -1.69 116.25 117.99 1k5g h VAL 101 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1k5g h VAL 101 Cb 0.63 0.34 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1k5g h VAL 101 CO 0.00 0.00 -0.01 -0.65 0.02 0.00 0.00 177.57 176.93 1k5g h PRO 102 N -0.04 0.10 -0.45 1.57 0.11 -1.77 0.34 132.00 131.86 1k5g h PRO 102 Ca 0.28 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 1k5g h PRO 102 Cb 0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1k5g h PRO 102 CO -0.64 0.06 -0.07 -0.91 -0.21 0.00 0.00 178.00 176.24 1k5g h ASN 103 N 0.10 0.77 0.46 -2.05 2.35 -1.59 -2.91 115.58 112.70 1k5g h ASN 103 Ca 0.39 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1k5g h ASN 103 Cb 0.67 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1k5g h ASN 103 CO -0.64 0.87 -0.22 -0.50 -1.65 0.00 0.00 177.43 175.29 1k5g h TRP 104 N 0.72 -0.58 -0.92 1.19 -0.00 -0.65 -2.41 115.95 113.29 1k5g h TRP 104 Ca 0.13 -0.01 -0.48 0.00 -0.00 0.00 0.00 58.89 58.52 1k5g h TRP 104 Cb 0.54 0.19 -0.08 0.00 -0.00 0.00 0.00 29.16 29.81 1k5g h TRP 104 CO 0.03 -0.27 1.24 -1.58 -0.00 0.00 0.00 178.44 177.86 1k5g s HIS 105 N -5.19 2.26 0.00 0.49 2.46 0.10 -1.55 115.29 113.85 1k5g s HIS 105 Ca -0.15 -0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.08 1k5g s HIS 105 Cb 0.03 -4.43 0.00 0.00 -0.13 0.00 0.00 32.58 28.04 1k5g s HIS 105 CO 0.56 -1.83 0.00 -2.13 -2.47 0.00 0.00 174.74 168.87 1k5g n ARG 106 N 8.82 0.00 0.29 2.88 0.63 -1.24 -4.70 116.66 123.34 1k5g n ARG 106 Ca 0.37 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.48 1k5g n ARG 106 Cb 0.49 0.00 0.87 0.00 0.45 0.00 0.00 32.46 34.27 1k5g n ARG 106 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1k5g h ASP 107 N 0.00 0.00 0.00 6.15 3.58 -1.11 -0.12 116.42 124.92 1k5g h ASP 107 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1k5g h ASP 107 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1k5g h ASP 107 CO 0.00 0.04 -0.42 0.25 -2.88 0.00 0.00 179.24 176.24 1k5g h LEU 108 N 0.00 0.00 0.00 2.28 6.46 -1.52 -3.35 115.31 119.18 1k5g h LEU 108 Ca -0.00 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1k5g h LEU 108 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1k5g h LEU 108 CO 0.01 0.88 0.00 1.33 -0.62 0.00 0.00 178.44 180.04 1k5g n VAL 109 N -4.63 0.00 0.10 1.05 0.24 -1.07 -2.53 118.33 111.50 1k5g n VAL 109 Ca -0.11 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.18 1k5g n VAL 109 Cb 0.32 -0.49 -0.04 0.00 -1.47 0.00 0.00 33.84 32.16 1k5g n VAL 109 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1k5g h ARG 110 N 0.00 0.00 0.00 7.34 2.43 -1.15 -2.08 114.38 120.91 1k5g h ARG 110 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1k5g h ARG 110 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1k5g h ARG 110 CO 0.00 0.69 -1.37 1.33 -1.51 0.00 0.00 179.97 179.11 1k5g n VAL 111 N -3.26 0.11 -0.02 0.20 0.24 -1.06 -4.66 118.33 109.88 1k5g n VAL 111 Ca 0.00 -0.20 0.07 0.00 -2.04 0.00 0.00 64.34 62.18 1k5g n VAL 111 Cb 0.83 0.06 -0.16 0.00 -1.47 0.00 0.00 33.84 33.09 1k5g n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k5g n GLU 113 N -2.37 0.00 -3.73 0.00 1.02 -0.78 -4.23 120.64 110.55 1k5g n GLU 113 Ca -0.09 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.68 1k5g n GLU 113 Cb 0.67 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.99 1k5g n GLU 113 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1k5g s ASN 114 N -4.00 5.28 -0.07 1.62 3.84 -1.26 -4.84 114.94 115.51 1k5g s ASN 114 Ca 0.00 -2.50 -0.11 0.00 0.21 0.00 0.00 52.86 50.46 1k5g s ASN 114 Cb 0.00 -1.86 0.02 0.00 -0.55 0.00 0.00 41.25 38.87 1k5g s ASN 114 CO 0.00 -0.45 0.28 0.27 -2.79 0.00 0.00 177.10 174.40 1k5g s ILE 115 N 0.46 0.03 0.25 -5.21 -4.36 -1.26 -5.08 121.20 106.03 1k5g s ILE 115 Ca 0.13 -0.21 -0.31 0.00 -0.26 0.00 0.00 60.65 60.00 1k5g s ILE 115 Cb -0.21 -0.47 -0.13 0.00 1.25 0.00 0.00 42.46 42.90 1k5g s ILE 115 CO -0.04 -0.12 1.37 -2.65 0.24 0.00 0.00 174.94 173.75 1k5g n PRO 116 N 2.30 1.98 -3.72 0.37 -0.02 -1.26 -4.89 135.00 129.76 1k5g n PRO 116 Ca -0.16 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 61.89 1k5g n PRO 116 Cb 0.57 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 1k5g n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1k5g s ILE 117 N -0.21 -0.10 -0.14 4.25 1.01 -1.26 -2.33 121.20 122.42 1k5g s ILE 117 Ca 0.67 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.49 1k5g s ILE 117 Cb -0.65 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1k5g s ILE 117 CO 0.51 0.08 -0.07 0.68 0.00 0.00 0.00 174.94 176.14 1k5g s VAL 118 N 1.44 3.58 -0.22 2.92 -7.23 -0.98 -1.84 120.40 118.06 1k5g s VAL 118 Ca -0.07 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 59.45 1k5g s VAL 118 Cb -0.11 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1k5g s VAL 118 CO -0.07 0.51 0.45 -0.22 -0.31 0.00 0.00 175.10 175.46 1k5g s LEU 119 N 0.24 4.12 -0.18 1.32 2.96 0.11 -1.86 118.68 125.39 1k5g s LEU 119 Ca -0.05 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1k5g s LEU 119 Cb -0.14 -2.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.96 1k5g s LEU 119 CO 0.04 -0.16 -0.12 0.00 -1.32 0.00 0.00 176.35 174.79 1k5g s GLY 121 N 1.12 2.22 0.81 0.00 0.00 -0.88 -1.16 107.32 109.43 1k5g s GLY 121 Ca 0.01 -2.79 -0.11 0.00 0.00 0.00 0.00 44.72 41.83 1k5g s GLY 121 CO -0.04 1.39 1.16 0.21 0.00 0.00 0.00 173.10 175.82 1k5g s ASN 122 N 3.08 4.40 -1.28 1.64 2.47 0.42 -1.54 114.94 124.12 1k5g s ASN 122 Ca 0.13 0.65 -0.07 0.00 0.42 0.00 0.00 52.86 53.99 1k5g s ASN 122 Cb -0.19 -1.11 0.01 0.00 -1.45 0.00 0.00 41.25 38.50 1k5g s ASN 122 CO -0.02 -1.95 0.97 0.29 -3.72 0.00 0.00 177.10 172.68 1k5g n LYS 123 N -3.29 -6.70 0.00 0.43 5.02 -0.67 -1.68 118.16 111.26 1k5g n LYS 123 Ca 0.09 0.78 0.08 0.00 -2.02 0.00 0.00 58.31 57.23 1k5g n LYS 123 Cb 0.61 -5.58 0.34 0.00 -0.02 0.00 0.00 35.03 30.38 1k5g n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1k5g n VAL 124 N -4.72 0.87 0.19 -0.18 0.24 -0.93 -2.22 118.33 111.58 1k5g n VAL 124 Ca -0.02 0.22 0.07 0.00 -2.04 0.00 0.00 64.34 62.57 1k5g n VAL 124 Cb 0.57 -0.95 0.33 0.00 -1.47 0.00 0.00 33.84 32.32 1k5g n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1k5g h ASP 125 N 0.00 0.00 -3.95 -1.34 2.03 -1.89 -3.45 116.42 107.82 1k5g h ASP 125 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 1k5g h ASP 125 Cb 0.25 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 38.85 1k5g h ASP 125 CO 0.00 0.34 0.72 -0.63 -1.03 0.00 0.00 179.24 178.64 1k5g s ILE 126 N -3.53 2.19 0.00 4.15 1.09 -0.94 -4.98 121.20 119.18 1k5g s ILE 126 Ca 0.01 0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1k5g s ILE 126 Cb 0.10 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 1k5g s ILE 126 CO 0.68 0.04 0.46 1.17 -0.10 0.00 0.00 174.94 177.19 1k5g n LYS 127 N 0.28 0.00 -1.77 2.79 4.81 -1.26 -4.20 118.16 118.81 1k5g n LYS 127 Ca 0.02 0.08 -0.19 0.00 -0.87 0.00 0.00 58.31 57.35 1k5g n LYS 127 Cb 0.41 -0.96 -0.08 0.00 0.02 0.00 0.00 35.03 34.41 1k5g n LYS 127 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1k5g s ASP 128 N -2.16 4.15 0.29 3.14 1.11 -1.26 -4.93 116.67 117.00 1k5g s ASP 128 Ca 0.00 -0.82 -0.22 0.00 0.18 0.00 0.00 52.55 51.69 1k5g s ASP 128 Cb 0.00 -2.58 -0.09 0.00 1.07 0.00 0.00 42.92 41.32 1k5g s ASP 128 CO 0.00 -3.88 0.85 -0.60 1.18 0.00 0.00 175.17 172.72 1k5g s ARG 129 N 7.92 4.39 -0.15 8.23 3.52 -1.26 -4.84 118.95 136.75 1k5g s ARG 129 Ca 0.80 1.09 -0.08 0.00 -0.13 0.00 0.00 55.73 57.40 1k5g s ARG 129 Cb -0.06 -2.75 -0.06 0.00 -1.56 0.00 0.00 34.95 30.51 1k5g s ARG 129 CO 0.12 0.29 -0.21 1.63 -0.81 0.00 0.00 175.30 176.32 1k5g n LYS 130 N 0.46 0.33 -3.03 5.12 5.02 -0.60 -4.85 118.16 120.61 1k5g n LYS 130 Ca 0.01 0.15 -0.44 0.00 -2.02 0.00 0.00 58.31 56.00 1k5g n LYS 130 Cb 0.51 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1k5g n LYS 130 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k5g s VAL 131 N -2.32 4.84 0.70 -0.18 1.01 -0.55 -5.00 120.40 118.90 1k5g s VAL 131 Ca -0.22 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1k5g s VAL 131 Cb 0.08 -4.63 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1k5g s VAL 131 CO 0.28 -1.32 1.07 -0.54 0.00 0.00 0.00 175.10 174.59 1k5g s LYS 132 N 2.48 2.84 0.19 2.72 1.02 -1.26 -4.88 119.74 122.86 1k5g s LYS 132 Ca 0.23 1.02 -0.18 0.00 0.02 0.00 0.00 55.97 57.06 1k5g s LYS 132 Cb -0.13 -1.98 0.16 0.00 -0.52 0.00 0.00 37.83 35.36 1k5g s LYS 132 CO -0.02 -1.18 1.61 0.00 -0.92 0.00 0.00 175.35 174.84 1k5g h ALA 133 N -0.69 0.15 -3.00 5.17 0.00 -1.98 -3.23 119.26 115.68 1k5g h ALA 133 Ca -0.44 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1k5g h ALA 133 Cb 1.22 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1k5g h ALA 133 CO 0.56 -0.56 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1k5g n LYS 134 N -5.42 0.00 -0.14 0.00 4.76 -1.26 -2.98 118.16 113.11 1k5g n LYS 134 Ca 0.05 0.19 0.12 0.00 -2.87 0.00 0.00 58.31 55.79 1k5g n LYS 134 Cb 0.33 -0.80 0.19 0.00 -1.84 0.00 0.00 35.03 32.91 1k5g n LYS 134 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1k5g n SER 135 N -0.48 0.03 -4.63 4.39 7.64 -1.22 -4.50 113.62 114.85 1k5g n SER 135 Ca 0.00 0.31 -0.43 0.00 1.01 0.00 0.00 58.87 59.76 1k5g n SER 135 Cb 0.00 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 1k5g n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1k5g s ILE 136 N -3.79 3.01 0.00 0.44 -1.09 -1.16 -4.75 121.20 113.86 1k5g s ILE 136 Ca -0.02 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1k5g s ILE 136 Cb 0.07 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1k5g s ILE 136 CO 0.21 -0.00 0.00 0.52 -1.23 0.00 0.00 174.94 174.44 1k5g n VAL 137 N 6.68 0.00 -0.22 2.92 0.31 -1.26 -4.84 118.33 121.92 1k5g n VAL 137 Ca 0.25 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.78 1k5g n VAL 137 Cb 0.43 -0.45 0.36 0.00 -0.91 0.00 0.00 33.84 33.27 1k5g n VAL 137 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1k5g n PHE 138 N -2.09 0.52 0.10 3.52 7.35 -1.26 0.16 117.46 125.76 1k5g n PHE 138 Ca 0.00 0.52 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1k5g n PHE 138 Cb 0.36 -0.93 0.31 0.00 0.35 0.00 0.00 39.48 39.57 1k5g n PHE 138 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1k5g h HIS 139 N 0.00 0.29 -0.37 -5.13 2.07 -1.88 -2.35 115.15 107.79 1k5g h HIS 139 Ca 0.48 -0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.94 1k5g h HIS 139 Cb 1.43 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 31.31 1k5g h HIS 139 CO -0.00 0.49 0.19 0.00 -3.07 0.00 0.00 177.93 175.54 1k5g h ARG 140 N 0.24 0.52 0.00 5.12 -0.00 0.13 -1.94 114.38 118.46 1k5g h ARG 140 Ca 0.04 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1k5g h ARG 140 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.43 1k5g h ARG 140 CO 0.04 0.44 0.00 1.63 0.00 0.00 0.00 179.97 182.08 1k5g n LYS 141 N -4.75 0.07 -0.11 0.04 4.76 -1.07 -3.99 118.16 113.11 1k5g n LYS 141 Ca -0.00 0.09 0.03 0.00 -2.87 0.00 0.00 58.31 55.55 1k5g n LYS 141 Cb 0.09 -1.59 0.04 0.00 -1.84 0.00 0.00 35.03 31.73 1k5g n LYS 141 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1k5g n LYS 142 N -1.71 1.35 -3.31 1.97 4.01 -0.91 -5.05 118.16 114.52 1k5g n LYS 142 Ca 0.06 -1.47 -0.16 0.00 -0.51 0.00 0.00 58.31 56.22 1k5g n LYS 142 Cb 0.34 -0.93 0.06 0.00 -0.51 0.00 0.00 35.03 33.99 1k5g n LYS 142 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1k5g n ASN 143 N -0.55 -6.53 -4.40 4.39 5.15 -0.77 -5.03 115.26 107.52 1k5g n ASN 143 Ca 0.04 -0.70 -0.21 0.00 -0.60 0.00 0.00 54.58 53.11 1k5g n ASN 143 Cb 0.49 -4.86 -0.10 0.00 -0.53 0.00 0.00 39.78 34.78 1k5g n ASN 143 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1k5g s LEU 144 N -5.43 2.57 0.08 1.20 1.43 -0.94 -4.71 118.68 112.87 1k5g s LEU 144 Ca 0.41 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1k5g s LEU 144 Cb -0.07 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1k5g s LEU 144 CO 0.76 -0.13 0.23 -1.58 0.23 0.00 0.00 176.35 175.87 1k5g s GLN 145 N -3.61 3.45 0.02 1.70 2.00 -0.77 -4.72 119.66 117.73 1k5g s GLN 145 Ca 0.26 -0.44 0.04 0.00 -2.00 0.00 0.00 55.36 53.23 1k5g s GLN 145 Cb -0.01 -3.01 -0.02 0.00 0.80 0.00 0.00 33.01 30.76 1k5g s GLN 145 CO 0.10 0.59 -0.13 -0.47 -0.50 0.00 0.00 175.29 174.88 1k5g s TYR 146 N -1.56 1.13 -0.11 1.67 5.04 -1.26 0.09 117.35 122.35 1k5g s TYR 146 Ca 0.35 -0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 54.63 1k5g s TYR 146 Cb -0.13 -0.69 0.05 0.00 0.35 0.00 0.00 41.96 41.54 1k5g s TYR 146 CO 0.28 0.01 0.25 0.71 -1.34 0.00 0.00 175.55 175.46 1k5g s TYR 147 N -0.65 -0.35 0.25 4.97 2.02 -0.08 -4.94 117.35 118.57 1k5g s TYR 147 Ca 0.02 0.82 -0.30 0.00 -0.37 0.00 0.00 57.07 57.25 1k5g s TYR 147 Cb -0.07 0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.44 1k5g s TYR 147 CO 0.01 -0.25 1.03 -0.51 -1.57 0.00 0.00 175.55 174.25 1k5g s ASP 148 N 1.45 7.44 0.20 2.29 1.11 -1.26 -2.06 116.67 125.83 1k5g s ASP 148 Ca -0.08 2.11 -0.11 0.00 0.18 0.00 0.00 52.55 54.66 1k5g s ASP 148 Cb -0.11 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 1k5g s ASP 148 CO -0.09 -0.02 0.36 0.27 1.18 0.00 0.00 175.17 176.88 1k5g s ILE 149 N -1.06 0.04 -0.28 0.77 -4.36 -0.59 -4.61 121.20 111.10 1k5g s ILE 149 Ca 0.43 -1.37 -0.00 0.00 -0.26 0.00 0.00 60.65 59.45 1k5g s ILE 149 Cb -0.29 -1.97 0.14 0.00 1.25 0.00 0.00 42.46 41.59 1k5g s ILE 149 CO 0.36 -0.16 0.33 -0.55 0.24 0.00 0.00 174.94 175.16 1k5g s SER 150 N -2.99 1.17 0.59 4.36 0.15 -1.07 -1.67 113.70 114.24 1k5g s SER 150 Ca 0.20 -0.54 0.29 0.00 0.70 0.00 0.00 55.95 56.59 1k5g s SER 150 Cb 0.02 0.72 1.57 0.00 -1.71 0.00 0.00 66.02 66.62 1k5g s SER 150 CO 0.03 -0.37 2.00 0.00 1.20 0.00 0.00 173.24 176.10 1k5g h ALA 151 N 8.23 1.97 0.00 5.45 0.00 -1.93 1.03 119.26 134.01 1k5g h ALA 151 Ca -0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k5g h ALA 151 Cb 1.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k5g h ALA 151 CO 0.31 -0.50 -0.00 -0.22 0.00 0.00 0.00 179.25 178.84 1k5g h LYS 152 N 0.00 -0.01 -0.02 0.00 3.64 -1.97 -3.33 116.57 114.89 1k5g h LYS 152 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1k5g h LYS 152 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1k5g h LYS 152 CO -0.00 0.80 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.83 1k5g n SER 153 N -4.70 2.22 0.00 4.20 3.41 -0.86 -4.93 113.62 112.95 1k5g n SER 153 Ca -0.09 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1k5g n SER 153 Cb 0.39 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1k5g n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k5g n ASN 154 N 0.71 -1.39 -4.56 4.04 3.02 0.35 -4.92 115.26 112.51 1k5g n ASN 154 Ca 0.16 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.20 1k5g n ASN 154 Cb 0.47 -1.67 -0.07 0.00 -0.61 0.00 0.00 39.78 37.91 1k5g n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k5g n TYR 155 N -2.13 1.87 -0.70 3.10 -0.00 -1.21 -0.05 117.16 118.04 1k5g n TYR 155 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.90 58.17 1k5g n TYR 155 Cb 0.08 -2.55 0.00 0.00 -0.00 0.00 0.00 39.34 36.88 1k5g n TYR 155 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1k5g n ASN 156 N 8.22 -1.19 0.10 2.98 5.03 -1.26 -2.61 115.26 126.52 1k5g n ASN 156 Ca 0.34 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.81 1k5g n ASN 156 Cb 0.22 -2.12 0.11 0.00 -1.02 0.00 0.00 39.78 36.97 1k5g n ASN 156 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1k5g n PHE 157 N -2.05 0.13 0.15 3.10 -1.74 0.92 -0.04 117.46 117.93 1k5g n PHE 157 Ca 0.00 0.07 0.02 0.00 -0.56 0.00 0.00 57.45 56.98 1k5g n PHE 157 Cb 0.09 -0.26 0.00 0.00 1.52 0.00 0.00 39.48 40.83 1k5g n PHE 157 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1k5g n GLU 158 N -1.60 2.06 0.00 3.97 -0.00 -1.26 -4.70 120.64 119.11 1k5g n GLU 158 Ca -0.00 -0.43 -0.12 0.00 -0.00 0.00 0.00 57.16 56.61 1k5g n GLU 158 Cb 0.47 -0.90 -0.07 0.00 -0.00 0.00 0.00 31.44 30.94 1k5g n GLU 158 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1k5g h LYS 159 N 0.42 0.07 -0.71 3.44 1.79 -0.85 -2.51 116.57 118.22 1k5g h LYS 159 Ca 0.00 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 1k5g h LYS 159 Cb 0.12 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.64 1k5g h LYS 159 CO 0.00 0.19 -0.50 -1.35 -1.08 0.00 0.00 179.45 176.70 1k5g h PRO 160 N -0.05 -0.17 -0.56 3.15 0.11 -1.84 0.38 132.00 133.02 1k5g h PRO 160 Ca 0.02 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1k5g h PRO 160 Cb 0.14 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1k5g h PRO 160 CO -0.00 -0.11 0.28 0.74 -0.21 0.00 0.00 178.00 178.70 1k5g h PHE 161 N -0.17 0.79 -0.77 0.65 0.04 -1.89 -2.63 116.94 112.96 1k5g h PHE 161 Ca 0.17 -0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.99 1k5g h PHE 161 Cb 0.53 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.37 1k5g h PHE 161 CO -0.83 0.60 0.43 1.25 -0.60 0.00 0.00 178.31 179.17 1k5g h LEU 162 N 0.75 0.62 0.00 1.54 5.85 -0.54 -1.24 115.31 122.31 1k5g h LEU 162 Ca 0.19 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1k5g h LEU 162 Cb 0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1k5g h LEU 162 CO -0.03 0.37 0.00 1.87 -0.34 0.00 0.00 178.44 180.31 1k5g n TRP 163 N -4.76 0.00 -0.11 1.25 -0.00 0.11 -2.10 117.44 111.83 1k5g n TRP 163 Ca 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.70 1k5g n TRP 163 Cb 0.25 0.00 0.15 0.00 -0.00 0.00 0.00 31.31 31.71 1k5g n TRP 163 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1k5g n LEU 164 N -0.30 0.05 0.05 5.87 4.77 -1.03 0.31 117.00 126.71 1k5g n LEU 164 Ca 0.00 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1k5g n LEU 164 Cb 0.00 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1k5g n LEU 164 CO 0.00 -0.59 0.84 0.00 -1.33 0.00 0.00 177.39 176.32 1k5g h ALA 165 N 0.65 -0.04 -0.30 -1.18 0.00 -1.20 0.82 119.26 118.01 1k5g h ALA 165 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1k5g h ALA 165 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1k5g h ALA 165 CO -0.28 -0.51 0.18 0.00 0.00 0.00 0.00 179.25 178.65 1k5g h ARG 166 N -0.07 0.37 -0.31 0.00 3.08 0.54 0.34 114.38 118.32 1k5g h ARG 166 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1k5g h ARG 166 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1k5g h ARG 166 CO 0.01 0.24 0.16 0.87 -1.07 0.00 0.00 179.97 180.18 1k5g h LYS 167 N 0.38 0.43 -0.08 0.04 1.79 -0.95 0.41 116.57 118.59 1k5g h LYS 167 Ca 0.11 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1k5g h LYS 167 Cb -0.02 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1k5g h LYS 167 CO -0.04 0.38 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.59 1k5g h LEU 168 N 0.37 0.17 -1.19 2.94 3.38 0.93 -3.12 115.31 118.80 1k5g h LEU 168 Ca 0.11 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1k5g h LEU 168 Cb 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1k5g h LEU 168 CO -0.02 0.55 -0.29 0.40 0.09 0.00 0.00 178.44 179.18 1k5g h ILE 169 N -0.22 0.77 -2.91 1.22 1.08 -0.32 -3.48 117.51 113.65 1k5g h ILE 169 Ca 0.02 -1.21 -0.10 0.00 -0.39 0.00 0.00 64.86 63.17 1k5g h ILE 169 Cb 0.49 1.76 0.05 0.00 -3.07 0.00 0.00 36.82 36.05 1k5g h ILE 169 CO 0.01 0.28 -0.22 0.61 -0.69 0.00 0.00 178.15 178.14 1k5g n GLY 170 N -0.01 0.29 2.45 5.37 0.00 0.14 -5.04 105.19 108.38 1k5g n GLY 170 Ca -0.01 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1k5g n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k5g s ASP 171 N -3.32 1.37 0.30 1.61 2.15 -0.90 -5.01 116.67 112.88 1k5g s ASP 171 Ca 0.05 -2.75 0.23 0.00 0.43 0.00 0.00 52.55 50.51 1k5g s ASP 171 Cb -0.02 -0.18 1.00 0.00 -0.30 0.00 0.00 42.92 43.42 1k5g s ASP 171 CO 0.22 -0.19 1.02 -2.65 -0.17 0.00 0.00 175.17 173.40 1k5g n PRO 172 N 3.10 -0.02 -1.20 4.34 -0.02 -1.26 0.42 135.00 140.36 1k5g n PRO 172 Ca 0.25 0.80 -0.22 0.00 -2.02 0.00 0.00 63.50 62.31 1k5g n PRO 172 Cb 0.47 -1.61 0.16 0.00 -0.02 0.00 0.00 33.50 32.50 1k5g n PRO 172 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1k5g n ASN 173 N -3.87 4.17 -4.77 2.55 4.13 -1.26 -4.99 115.26 111.22 1k5g n ASN 173 Ca 0.27 -3.67 -0.38 0.00 1.68 0.00 0.00 54.58 52.48 1k5g n ASN 173 Cb 1.07 -0.82 -0.05 0.00 -1.54 0.00 0.00 39.78 38.44 1k5g n ASN 173 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1k5g s LEU 174 N -3.38 4.32 0.00 3.41 2.96 0.17 -5.03 118.68 121.13 1k5g s LEU 174 Ca 0.56 2.06 -0.14 0.00 -0.22 0.00 0.00 54.13 56.39 1k5g s LEU 174 Cb 0.47 -3.97 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1k5g s LEU 174 CO 0.07 -0.28 0.29 -1.83 -1.32 0.00 0.00 176.35 173.27 1k5g s GLU 175 N -2.05 0.69 0.57 1.98 -1.05 -1.26 -4.94 118.70 112.65 1k5g s GLU 175 Ca 0.52 -0.31 -0.19 0.00 -0.15 0.00 0.00 54.97 54.84 1k5g s GLU 175 Cb -0.24 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.70 1k5g s GLU 175 CO 0.31 -0.20 1.16 -0.06 0.95 0.00 0.00 175.26 177.43 1k5g s PHE 176 N -1.70 2.53 -0.14 4.83 0.08 -1.26 -2.67 117.98 119.65 1k5g s PHE 176 Ca -0.11 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 1k5g s PHE 176 Cb -0.04 -3.37 0.05 0.00 -0.57 0.00 0.00 43.02 39.08 1k5g s PHE 176 CO 0.02 -1.89 0.35 0.14 -0.10 0.00 0.00 175.22 173.74 1k5g s VAL 177 N -1.72 -0.02 0.00 -0.44 -7.23 0.84 -4.88 120.40 106.95 1k5g s VAL 177 Ca 0.75 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1k5g s VAL 177 Cb -0.27 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.16 1k5g s VAL 177 CO 0.31 0.03 0.00 0.00 -0.31 0.00 0.00 175.10 175.13 1k5g n ALA 178 N 3.78 0.00 0.00 1.32 0.00 -1.26 -4.62 120.51 119.72 1k5g n ALA 178 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1k5g n ALA 178 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1k5g n ALA 178 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1k5g n MET 179 N 6.14 0.00 -1.70 0.00 1.56 -1.26 -4.82 117.12 117.04 1k5g n MET 179 Ca 0.00 0.00 -0.60 0.00 -0.27 0.00 0.00 57.70 56.83 1k5g n MET 179 Cb 0.00 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.29 1k5g n MET 179 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1k5g n PRO 180 N 0.00 0.74 -3.25 2.12 -0.02 -1.26 -4.86 135.00 128.46 1k5g n PRO 180 Ca 0.00 0.27 -0.46 0.00 -2.02 0.00 0.00 63.50 61.29 1k5g n PRO 180 Cb 0.00 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1k5g n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k5g s ALA 181 N 2.87 3.83 1.13 3.55 0.00 -1.26 -5.05 121.76 126.84 1k5g s ALA 181 Ca 0.99 -2.97 -0.14 0.00 0.00 0.00 0.00 51.96 49.83 1k5g s ALA 181 Cb -1.20 -3.53 0.26 0.00 0.00 0.00 0.00 23.12 18.65 1k5g s ALA 181 CO 0.68 -2.32 1.05 -0.51 0.00 0.00 0.00 175.76 174.66 1k5g s LEU 182 N 1.05 0.88 -0.19 0.00 1.02 -1.26 -4.95 118.68 115.23 1k5g s LEU 182 Ca 0.16 1.22 -0.29 0.00 0.02 0.00 0.00 54.13 55.24 1k5g s LEU 182 Cb -0.15 -3.16 -0.00 0.00 0.02 0.00 0.00 46.19 42.90 1k5g s LEU 182 CO -0.05 -3.92 1.16 0.00 0.02 0.00 0.00 176.35 173.56 1k5g s ALA 183 N -2.70 3.67 0.25 4.21 0.00 -1.26 -4.98 121.76 120.95 1k5g s ALA 183 Ca 0.68 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1k5g s ALA 183 Cb -0.20 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.21 1k5g s ALA 183 CO 0.61 -1.11 1.58 -2.30 0.00 0.00 0.00 175.76 174.54 1k5g n PRO 184 N 6.44 2.51 -0.80 0.00 -0.02 -1.26 -4.91 135.00 136.95 1k5g n PRO 184 Ca 0.13 0.90 -0.34 0.00 -2.02 0.00 0.00 63.50 62.17 1k5g n PRO 184 Cb 0.45 -2.66 0.12 0.00 -0.02 0.00 0.00 33.50 31.39 1k5g n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1k5g n PRO 185 N 2.61 -0.70 0.00 0.52 -0.02 -1.26 -4.88 135.00 131.27 1k5g n PRO 185 Ca 0.12 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1k5g n PRO 185 Cb 0.34 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1k5g n PRO 185 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1k5g n GLU 186 N -0.69 0.00 -0.77 -0.52 -0.00 -1.26 -4.97 120.64 112.43 1k5g n GLU 186 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 1k5g n GLU 186 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.04 1k5g n GLU 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1k5g n VAL 187 N -0.05 -0.96 0.00 3.84 0.31 -1.26 -5.13 118.33 115.08 1k5g n VAL 187 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k5g n VAL 187 Cb 0.00 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1k5g n VAL 187 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1k5g n VAL 188 N -0.29 0.00 -0.20 2.52 0.31 -1.26 -5.13 118.33 114.27 1k5g n VAL 188 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1k5g n VAL 188 Cb 0.03 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1k5g n VAL 188 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1k5g n MET 189 N 0.00 -0.27 0.00 5.55 0.00 -1.26 -5.03 117.12 116.11 1k5g n MET 189 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1k5g n MET 189 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 33.22 32.90 1k5g n MET 189 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1k5g n ASP 190 N -4.40 0.00 0.00 3.17 4.64 -1.26 -5.06 116.55 113.64 1k5g n ASP 190 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1k5g n ASP 190 Cb 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.14 1k5g n ASP 190 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1k5g n PRO 191 N 0.00 0.00 0.31 -0.67 -0.02 -1.26 -3.01 135.00 130.35 1k5g n PRO 191 Ca 0.00 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.67 1k5g n PRO 191 Cb 0.00 0.00 0.95 0.00 -0.02 0.00 0.00 33.50 34.43 1k5g n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k5g h ALA 192 N -2.99 1.04 0.00 3.55 0.00 -2.05 -2.46 119.26 116.35 1k5g h ALA 192 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k5g h ALA 192 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k5g h ALA 192 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1k5g n LEU 193 N -3.16 1.20 0.00 0.00 4.32 -1.25 -4.74 117.00 113.37 1k5g n LEU 193 Ca -0.01 -0.60 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 1k5g n LEU 193 Cb 0.19 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1k5g n LEU 193 CO 0.24 0.23 0.00 0.00 -1.22 0.00 0.00 177.39 176.64 1k5g n ALA 194 N 0.41 0.00 0.00 -1.18 0.00 -0.93 -4.60 120.51 114.22 1k5g n ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k5g n ALA 194 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1k5g n ALA 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k5g n ALA 195 N -3.00 0.00 1.15 0.00 0.00 -1.26 -4.54 120.51 112.85 1k5g n ALA 195 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1k5g n ALA 195 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1k5g n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k5g n GLN 196 N 0.00 0.57 0.04 0.00 -0.00 -1.26 -2.27 117.38 114.46 1k5g n GLN 196 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.78 1k5g n GLN 196 Cb 0.00 -1.08 -0.14 0.00 -0.00 0.00 0.00 30.24 29.01 1k5g n GLN 196 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1k5g h TYR 197 N 0.00 0.56 -0.14 2.61 0.05 -1.96 -3.29 116.97 114.80 1k5g h TYR 197 Ca 0.00 -0.41 0.04 0.00 0.05 0.00 0.00 58.73 58.41 1k5g h TYR 197 Cb 0.00 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1k5g h TYR 197 CO 0.00 1.53 0.10 0.93 -1.05 0.00 0.00 178.16 179.67 1k5g h GLU 198 N -0.21 0.01 -0.58 4.88 5.08 -1.85 0.21 114.58 122.12 1k5g h GLU 198 Ca -0.28 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1k5g h GLU 198 Cb 1.83 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.05 1k5g h GLU 198 CO 0.11 0.01 0.35 1.25 -1.00 0.00 0.00 179.01 179.74 1k5g h HIS 199 N 0.02 0.76 0.10 4.33 2.76 -1.67 -2.29 115.15 119.15 1k5g h HIS 199 Ca 0.06 -0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.95 1k5g h HIS 199 Cb 0.24 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1k5g h HIS 199 CO -0.00 0.52 -1.35 -0.44 -1.30 0.00 0.00 177.93 175.36 1k5g h ASP 200 N 0.78 0.33 -0.35 3.26 5.19 -1.27 -2.94 116.42 121.42 1k5g h ASP 200 Ca 0.21 -0.40 0.10 0.00 -0.62 0.00 0.00 57.03 56.32 1k5g h ASP 200 Cb -0.02 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1k5g h ASP 200 CO -0.04 1.32 0.28 0.25 -3.12 0.00 0.00 179.24 177.94 1k5g h LEU 201 N 0.06 0.00 0.11 1.55 5.85 -0.50 0.30 115.31 122.68 1k5g h LEU 201 Ca -0.17 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.23 1k5g h LEU 201 Cb 1.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1k5g h LEU 201 CO 0.17 0.00 -1.63 -0.33 -0.34 0.00 0.00 178.44 176.31 1k5g h GLU 202 N 0.00 0.24 0.00 1.25 5.08 -1.43 -2.41 114.58 117.31 1k5g h GLU 202 Ca 0.17 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1k5g h GLU 202 Cb 0.73 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1k5g h GLU 202 CO -0.00 1.09 0.00 0.28 -1.00 0.00 0.00 179.01 179.38 1k5g n VAL 203 N -3.43 1.29 -0.07 3.13 0.31 -0.01 -2.23 118.33 117.32 1k5g n VAL 203 Ca -0.19 0.55 -0.06 0.00 -0.01 0.00 0.00 64.34 64.63 1k5g n VAL 203 Cb 1.05 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.44 1k5g n VAL 203 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k5g n ALA 204 N -1.67 0.58 0.00 3.52 0.00 -0.56 -3.57 120.51 118.81 1k5g n ALA 204 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1k5g n ALA 204 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1k5g n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k5g n GLN 205 N -4.22 0.00 -0.09 0.00 10.64 -0.91 -0.88 117.38 121.92 1k5g n GLN 205 Ca -0.09 0.30 -0.15 0.00 -1.83 0.00 0.00 57.00 55.23 1k5g n GLN 205 Cb 0.34 -1.68 -0.06 0.00 -0.86 0.00 0.00 30.24 27.98 1k5g n GLN 205 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1k5g n THR 206 N -1.29 1.48 -1.62 -0.39 -2.24 -0.95 -4.87 114.28 104.41 1k5g n THR 206 Ca 0.00 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 1k5g n THR 206 Cb 0.18 -2.20 -0.03 0.00 -2.10 0.00 0.00 70.33 66.18 1k5g n THR 206 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k5g s THR 207 N -2.40 3.01 0.52 4.28 2.01 -0.06 -4.92 115.64 118.07 1k5g s THR 207 Ca -0.25 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 1k5g s THR 207 Cb 0.05 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.49 1k5g s THR 207 CO 0.41 -0.00 1.26 0.00 -0.69 0.00 0.00 174.62 175.59 1k5g n ALA 208 N 10.66 1.22 -2.10 7.40 0.00 -1.26 -4.93 120.51 131.50 1k5g n ALA 208 Ca 0.27 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 1k5g n ALA 208 Cb 0.44 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 1k5g n ALA 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k5g s LEU 209 N -2.59 4.55 -1.08 0.00 2.01 -1.26 -4.95 118.68 115.36 1k5g s LEU 209 Ca 0.69 1.77 -0.25 0.00 0.01 0.00 0.00 54.13 56.34 1k5g s LEU 209 Cb -0.45 -3.50 -0.16 0.00 0.01 0.00 0.00 46.19 42.09 1k5g s LEU 209 CO 0.52 0.05 2.07 -2.84 1.01 0.00 0.00 176.35 177.16 1k5g s PRO 210 N -0.51 1.73 -0.26 1.29 0.02 -1.26 -4.91 135.00 131.10 1k5g s PRO 210 Ca 0.42 -0.59 -0.29 0.00 0.02 0.00 0.00 61.00 60.57 1k5g s PRO 210 Cb -0.24 -5.06 -0.02 0.00 0.02 0.00 0.00 34.50 29.20 1k5g s PRO 210 CO 0.29 -4.79 1.70 0.16 -0.33 0.00 0.00 177.00 174.02 1k5g s ASP 211 N 8.03 6.18 -0.00 2.53 -4.77 -1.26 -4.80 116.67 122.57 1k5g s ASP 211 Ca 0.77 1.51 0.03 0.00 -3.30 0.00 0.00 52.55 51.57 1k5g s ASP 211 Cb -0.04 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 1k5g s ASP 211 CO 0.15 -1.44 0.10 -0.62 0.70 0.00 0.00 175.17 174.06 1k5g n GLU 212 N 7.98 3.53 0.00 2.11 1.02 -1.26 -5.32 120.64 128.69 1k5g n GLU 212 Ca 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1k5g n GLU 212 Cb 0.46 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 1k5g n GLU 212 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06