#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkz n VAL 2 N 0.00 0.25 -3.86 2.12 0.31 -1.26 -4.38 118.33 111.52 1qkz n VAL 2 Ca 0.00 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1qkz n VAL 2 Cb 0.00 -1.97 -0.14 0.00 -0.91 0.00 0.00 33.84 30.83 1qkz n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1qkz s LYS 3 N 0.75 0.04 -0.03 5.55 2.20 -0.31 -5.01 119.74 122.92 1qkz s LYS 3 Ca 0.72 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 1qkz s LYS 3 Cb -0.51 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 35.84 1qkz s LYS 3 CO 0.36 -0.01 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.76 1qkz s LEU 4 N 0.02 1.66 -0.20 5.43 1.43 -1.26 -1.30 118.68 124.47 1qkz s LEU 4 Ca -0.00 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1qkz s LEU 4 Cb -0.00 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.72 1qkz s LEU 4 CO 0.00 0.03 0.03 -0.69 0.23 0.00 0.00 176.35 175.95 1qkz s VAL 5 N 0.43 0.60 0.29 -1.59 1.01 0.45 -4.09 120.40 117.49 1qkz s VAL 5 Ca -0.07 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1qkz s VAL 5 Cb -0.11 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 1qkz s VAL 5 CO 0.01 -0.20 0.73 -1.61 0.00 0.00 0.00 175.10 174.03 1qkz s GLU 6 N 1.82 4.07 0.24 2.72 8.01 -1.26 -0.55 118.70 133.75 1qkz s GLU 6 Ca -0.01 0.72 -0.18 0.00 0.01 0.00 0.00 54.97 55.51 1qkz s GLU 6 Cb -0.17 -2.56 0.02 0.00 -4.31 0.00 0.00 34.13 27.10 1qkz s GLU 6 CO -0.08 0.23 0.60 -1.54 0.01 0.00 0.00 175.26 174.48 1qkz s SER 7 N -2.09 -0.24 0.00 -0.19 1.04 -0.43 -4.62 113.70 107.16 1qkz s SER 7 Ca 0.51 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1qkz s SER 7 Cb -0.12 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1qkz s SER 7 CO 0.18 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1qkz n GLY 8 N -0.40 2.61 3.74 7.32 0.00 -1.26 -1.71 105.19 115.49 1qkz n GLY 8 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1qkz n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qkz s GLY 9 N -2.46 2.85 0.00 -0.02 0.00 -1.26 -4.82 107.32 101.62 1qkz s GLY 9 Ca 0.00 1.22 -0.01 0.00 0.00 0.00 0.00 44.72 45.93 1qkz s GLY 9 CO 0.00 1.67 0.03 0.61 0.00 0.00 0.00 173.10 175.42 1qkz n GLY 10 N 0.76 0.99 3.80 0.20 0.00 -0.92 -4.76 105.19 105.25 1qkz n GLY 10 Ca 0.13 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1qkz n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qkz s LEU 11 N 0.00 4.42 -0.01 0.99 2.96 -1.26 -2.20 118.68 123.59 1qkz s LEU 11 Ca 0.01 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 1qkz s LEU 11 Cb -0.00 -2.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 1qkz s LEU 11 CO 0.00 0.23 0.04 -0.69 -1.32 0.00 0.00 176.35 174.61 1qkz s VAL 12 N -0.58 0.03 0.54 1.68 1.01 -0.59 -4.98 120.40 117.51 1qkz s VAL 12 Ca 0.25 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 1qkz s VAL 12 Cb -0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1qkz s VAL 12 CO 0.13 -0.15 1.04 -0.54 0.00 0.00 0.00 175.10 175.58 1qkz s LYS 13 N -0.46 3.59 0.31 2.72 1.02 -1.26 -1.64 119.74 124.02 1qkz s LYS 13 Ca -0.05 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.89 1qkz s LYS 13 Cb -0.03 -2.07 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1qkz s LYS 13 CO -0.00 -0.59 1.35 -2.30 -0.92 0.00 0.00 175.35 172.89 1qkz n PRO 14 N -1.53 2.14 0.00 -1.68 -0.02 -1.26 -1.49 135.00 131.16 1qkz n PRO 14 Ca 0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1qkz n PRO 14 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1qkz n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkz n GLY 15 N 1.31 1.81 0.43 -1.23 0.00 0.70 -4.90 105.19 103.30 1qkz n GLY 15 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1qkz n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qkz n ARG 16 N -2.00 0.09 -3.99 1.61 0.00 -0.56 -3.71 116.66 108.10 1qkz n ARG 16 Ca 0.00 -0.25 -0.09 0.00 -0.00 0.00 0.00 57.85 57.50 1qkz n ARG 16 Cb 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 32.46 32.26 1qkz n ARG 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1qkz s SER 17 N -1.51 0.09 0.06 6.15 1.04 -1.26 -1.33 113.70 116.95 1qkz s SER 17 Ca 0.08 -0.92 -0.27 0.00 0.48 0.00 0.00 55.95 55.33 1qkz s SER 17 Cb -0.00 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1qkz s SER 17 CO 0.06 -0.85 0.65 -0.22 0.98 0.00 0.00 173.24 173.86 1qkz s LEU 18 N -2.98 -0.59 -0.10 2.42 0.20 -0.81 -5.01 118.68 111.82 1qkz s LEU 18 Ca 0.18 0.30 0.04 0.00 0.69 0.00 0.00 54.13 55.34 1qkz s LEU 18 Cb 0.04 2.53 -0.00 0.00 -0.43 0.00 0.00 46.19 48.33 1qkz s LEU 18 CO -0.00 -0.79 -0.23 -0.75 -0.29 0.00 0.00 176.35 174.28 1qkz s LYS 19 N -2.62 3.00 0.10 1.98 2.47 -1.26 -1.00 119.74 122.42 1qkz s LYS 19 Ca -0.04 -0.86 0.04 0.00 -1.56 0.00 0.00 55.97 53.55 1qkz s LYS 19 Cb -0.01 -2.31 -0.04 0.00 -1.46 0.00 0.00 37.83 34.01 1qkz s LYS 19 CO -0.03 0.22 0.09 -0.51 0.16 0.00 0.00 175.35 175.27 1qkz s LEU 20 N 0.25 3.77 0.25 5.43 1.43 0.13 -4.72 118.68 125.22 1qkz s LEU 20 Ca -0.16 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1qkz s LEU 20 Cb -0.17 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1qkz s LEU 20 CO 0.08 0.15 -0.13 -0.44 0.23 0.00 0.00 176.35 176.23 1qkz s SER 21 N -2.57 2.92 -0.24 2.29 0.01 -0.69 -1.01 113.70 114.41 1qkz s SER 21 Ca 0.29 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.45 1qkz s SER 21 Cb -0.12 -0.19 0.12 0.00 0.21 0.00 0.00 66.02 66.04 1qkz s SER 21 CO 0.22 -0.17 0.31 0.00 0.41 0.00 0.00 173.24 174.01 1qkz s ALA 23 N 2.44 3.39 -0.03 0.00 0.00 0.28 -0.91 121.76 126.94 1qkz s ALA 23 Ca 0.10 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1qkz s ALA 23 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1qkz s ALA 23 CO -0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 175.76 175.28 1qkz s ALA 24 N 1.18 3.09 0.07 0.00 0.00 -0.12 -0.41 121.76 125.57 1qkz s ALA 24 Ca 0.37 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1qkz s ALA 24 Cb -0.17 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1qkz s ALA 24 CO 0.16 0.61 0.33 -1.54 0.00 0.00 0.00 175.76 175.32 1qkz s SER 25 N -1.23 -0.14 0.00 0.00 1.04 -0.42 -4.84 113.70 108.11 1qkz s SER 25 Ca 0.16 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1qkz s SER 25 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1qkz s SER 25 CO 0.06 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1qkz n GLY 26 N 0.25 0.64 3.58 7.32 0.00 -1.26 -1.17 105.19 114.55 1qkz n GLY 26 Ca -0.17 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 1qkz n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qkz s PHE 27 N -2.00 -0.30 -0.86 1.61 -0.71 -1.26 -4.05 117.98 110.41 1qkz s PHE 27 Ca 0.00 0.09 -0.25 0.00 -1.04 0.00 0.00 56.93 55.73 1qkz s PHE 27 Cb 0.00 0.58 0.04 0.00 -1.21 0.00 0.00 43.02 42.43 1qkz s PHE 27 CO 0.00 -0.71 1.37 0.99 -1.34 0.00 0.00 175.22 175.53 1qkz s THR 28 N -3.30 3.79 0.23 -4.49 2.01 -1.26 -4.87 115.64 107.75 1qkz s THR 28 Ca 0.07 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1qkz s THR 28 Cb -0.01 -4.95 0.18 0.00 0.01 0.00 0.00 72.50 67.73 1qkz s THR 28 CO -0.06 -1.86 1.75 0.15 -0.69 0.00 0.00 174.62 173.92 1qkz h PHE 29 N 10.04 0.53 0.00 4.92 3.57 -1.95 -2.15 116.94 131.90 1qkz h PHE 29 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qkz h PHE 29 Cb 1.03 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1qkz h PHE 29 CO 1.19 0.14 0.00 -1.13 -2.23 0.00 0.00 178.31 176.29 1qkz n SER 30 N -4.94 0.29 -0.30 0.41 3.41 -1.26 -1.94 113.62 109.28 1qkz n SER 30 Ca 0.11 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1qkz n SER 30 Cb 0.31 -0.66 0.34 0.00 -0.26 0.00 0.00 64.21 63.95 1qkz n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qkz n ASP 31 N -1.86 1.20 -4.29 4.04 8.00 -0.81 -4.33 116.55 118.50 1qkz n ASP 31 Ca 0.00 -1.02 -0.31 0.00 0.71 0.00 0.00 54.79 54.18 1qkz n ASP 31 Cb 0.07 0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.17 1qkz n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1qkz s TYR 32 N -2.46 2.33 0.53 1.24 1.51 -0.82 -4.88 117.35 114.80 1qkz s TYR 32 Ca 0.25 -0.54 -0.21 0.00 -1.01 0.00 0.00 57.07 55.56 1qkz s TYR 32 Cb 0.19 -1.51 -0.06 0.00 -0.11 0.00 0.00 41.96 40.48 1qkz s TYR 32 CO 0.51 -0.10 1.19 0.71 -1.11 0.00 0.00 175.55 176.75 1qkz s TYR 33 N -0.43 2.61 0.12 2.71 1.51 -1.26 -3.91 117.35 118.69 1qkz s TYR 33 Ca 0.05 1.51 0.06 0.00 -1.01 0.00 0.00 57.07 57.68 1qkz s TYR 33 Cb -0.11 -3.44 -0.04 0.00 -0.11 0.00 0.00 41.96 38.26 1qkz s TYR 33 CO 0.01 -1.90 -0.15 -1.64 -1.11 0.00 0.00 175.55 170.75 1qkz s MET 34 N -3.06 1.03 0.28 -0.62 -1.94 -0.58 -1.19 119.30 113.22 1qkz s MET 34 Ca 0.71 -1.21 0.06 0.00 -1.71 0.00 0.00 55.69 53.54 1qkz s MET 34 Cb -0.29 -0.99 -0.06 0.00 2.01 0.00 0.00 34.83 35.49 1qkz s MET 34 CO 0.34 0.20 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.46 1qkz s PHE 35 N -1.89 1.89 -0.11 -0.03 0.08 0.64 -1.61 117.98 116.94 1qkz s PHE 35 Ca 0.08 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.38 1qkz s PHE 35 Cb -0.06 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 1qkz s PHE 35 CO 0.03 0.18 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.53 1qkz s TRP 36 N -3.13 2.60 -0.03 0.36 0.52 -0.26 -0.62 118.94 118.38 1qkz s TRP 36 Ca 0.30 -1.06 0.02 0.00 0.02 0.00 0.00 56.10 55.38 1qkz s TRP 36 Cb 0.05 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1qkz s TRP 36 CO 0.12 -0.43 -0.08 0.08 0.02 0.00 0.00 176.95 176.65 1qkz s VAL 37 N 0.42 0.73 0.24 4.03 1.01 0.46 -1.11 120.40 126.18 1qkz s VAL 37 Ca -0.16 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1qkz s VAL 37 Cb -0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1qkz s VAL 37 CO 0.07 0.24 -0.12 0.00 0.00 0.00 0.00 175.10 175.28 1qkz s ARG 38 N 0.28 1.94 -0.13 2.72 1.70 -0.13 0.35 118.95 125.67 1qkz s ARG 38 Ca -0.04 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.71 1qkz s ARG 38 Cb -0.09 -2.00 0.02 0.00 -0.57 0.00 0.00 34.95 32.32 1qkz s ARG 38 CO 0.00 0.38 -0.12 -1.14 -1.08 0.00 0.00 175.30 173.34 1qkz s GLN 39 N -3.27 2.01 0.83 3.89 0.74 0.01 0.14 119.66 124.02 1qkz s GLN 39 Ca 0.28 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 1qkz s GLN 39 Cb -0.07 -1.90 0.09 0.00 1.10 0.00 0.00 33.01 32.24 1qkz s GLN 39 CO 0.16 -0.23 1.10 0.95 -0.55 0.00 0.00 175.29 176.71 1qkz s THR 40 N 1.52 2.91 0.45 -0.34 -4.23 -0.64 -0.83 115.64 114.47 1qkz s THR 40 Ca 0.04 0.29 0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1qkz s THR 40 Cb -0.13 -2.95 0.39 0.00 1.34 0.00 0.00 72.50 71.14 1qkz s THR 40 CO -0.09 -0.38 1.90 -0.65 -0.54 0.00 0.00 174.62 174.86 1qkz h PRO 41 N -1.25 0.30 -0.09 3.99 0.11 -1.92 0.52 132.00 133.67 1qkz h PRO 41 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qkz h PRO 41 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qkz h PRO 41 CO 0.58 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.72 1qkz n GLU 42 N -4.45 1.23 -1.35 1.05 0.28 -1.26 -4.91 120.64 111.22 1qkz n GLU 42 Ca 0.16 -0.35 -0.06 0.00 -0.16 0.00 0.00 57.16 56.74 1qkz n GLU 42 Cb 0.65 -1.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.35 1qkz n GLU 42 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1qkz n GLN 43 N -0.28 -0.46 -3.10 3.44 6.02 0.18 -5.04 117.38 118.14 1qkz n GLN 43 Ca 0.07 0.66 -0.37 0.00 -0.01 0.00 0.00 57.00 57.35 1qkz n GLN 43 Cb 0.10 -4.44 -0.06 0.00 1.02 0.00 0.00 30.24 26.86 1qkz n GLN 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qkz s ARG 44 N -2.86 4.30 -0.08 -1.09 1.81 -1.26 -4.77 118.95 115.00 1qkz s ARG 44 Ca 0.00 0.90 -0.13 0.00 -1.72 0.00 0.00 55.73 54.79 1qkz s ARG 44 Cb 0.00 -2.97 -0.05 0.00 -0.45 0.00 0.00 34.95 31.48 1qkz s ARG 44 CO 0.00 0.44 0.31 -0.51 -0.68 0.00 0.00 175.30 174.86 1qkz s LEU 45 N -1.77 4.38 -0.05 2.53 1.43 -1.26 -1.62 118.68 122.32 1qkz s LEU 45 Ca 0.41 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1qkz s LEU 45 Cb -0.18 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.68 1qkz s LEU 45 CO 0.22 0.27 0.03 -0.70 0.23 0.00 0.00 176.35 176.40 1qkz s GLU 46 N -0.56 0.21 0.21 1.70 2.12 0.12 -4.99 118.70 117.51 1qkz s GLU 46 Ca 0.19 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 1qkz s GLU 46 Cb -0.14 -0.62 -0.09 0.00 0.26 0.00 0.00 34.13 33.53 1qkz s GLU 46 CO 0.08 -0.27 1.40 -0.46 -0.54 0.00 0.00 175.26 175.47 1qkz s TRP 47 N 1.79 3.13 -0.00 5.30 -0.00 -1.26 -0.95 118.94 126.95 1qkz s TRP 47 Ca 0.01 1.04 0.00 0.00 -0.00 0.00 0.00 56.10 57.15 1qkz s TRP 47 Cb -0.12 -3.74 -0.00 0.00 -0.00 0.00 0.00 33.47 29.60 1qkz s TRP 47 CO -0.03 -2.45 0.00 1.33 -0.00 0.00 0.00 176.95 175.80 1qkz n VAL 48 N 2.81 0.00 -3.61 5.86 0.24 -0.26 -4.68 118.33 118.68 1qkz n VAL 48 Ca 0.08 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1qkz n VAL 48 Cb 0.41 0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 1qkz n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qkz s ALA 49 N -2.01 -1.97 0.01 2.33 0.00 -1.04 -4.39 121.76 114.69 1qkz s ALA 49 Ca -0.00 1.73 0.04 0.00 0.00 0.00 0.00 51.96 53.72 1qkz s ALA 49 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1qkz s ALA 49 CO 0.01 -0.26 -0.12 0.99 0.00 0.00 0.00 175.76 176.38 1qkz s THR 50 N -0.46 0.91 -0.02 0.00 2.01 -0.47 -1.11 115.64 116.51 1qkz s THR 50 Ca 0.01 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1qkz s THR 50 Cb -0.03 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1qkz s THR 50 CO -0.03 0.15 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.49 1qkz s ILE 51 N -0.46 0.47 0.79 1.82 2.07 -0.64 -0.58 121.20 124.68 1qkz s ILE 51 Ca 0.03 -0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 58.96 1qkz s ILE 51 Cb -0.05 -0.43 0.07 0.00 0.13 0.00 0.00 42.46 42.18 1qkz s ILE 51 CO 0.00 0.16 1.10 -0.94 -1.91 0.00 0.00 174.94 173.35 1qkz s SER 52 N 0.20 4.25 0.21 4.50 1.04 -0.04 -1.53 113.70 122.33 1qkz s SER 52 Ca -0.02 1.89 -0.15 0.00 0.48 0.00 0.00 55.95 58.15 1qkz s SER 52 Cb -0.06 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.76 1qkz s SER 52 CO -0.00 -2.21 1.61 -2.24 0.98 0.00 0.00 173.24 171.38 1qkz h ASP 52 N -1.23 -0.76 1.11 7.02 2.03 -1.86 -1.39 116.42 121.36 1qkz h ASP 52 Ca -0.43 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1qkz h ASP 52 Cb 1.24 0.46 0.00 0.00 -0.83 0.00 0.00 39.33 40.20 1qkz h ASP 52 CO 0.50 -0.25 -0.05 0.61 -1.03 0.00 0.00 179.24 179.03 1qkz n GLY 53 N -1.46 -1.55 0.73 7.15 0.00 -1.26 -4.73 105.19 104.07 1qkz n GLY 53 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qkz n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qkz n GLY 54 N 1.44 1.77 0.25 -0.02 0.00 -0.52 -4.96 105.19 103.15 1qkz n GLY 54 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1qkz n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkz h ALA 55 N 0.00 1.29 -3.19 4.61 0.00 -1.93 -3.44 119.26 116.61 1qkz h ALA 55 Ca 0.00 -0.26 -0.64 0.00 0.00 0.00 0.00 54.91 54.02 1qkz h ALA 55 Cb 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 17.79 17.45 1qkz h ALA 55 CO 0.00 0.47 -0.64 0.71 0.00 0.00 0.00 179.25 179.79 1qkz s TYR 56 N -4.76 3.07 0.01 0.00 2.02 -1.26 -5.00 117.35 111.44 1qkz s TYR 56 Ca -0.07 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1qkz s TYR 56 Cb 0.15 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1qkz s TYR 56 CO 0.77 -0.12 -0.15 0.95 -1.57 0.00 0.00 175.55 175.43 1qkz s THR 57 N 0.76 1.15 -0.00 -0.71 -4.23 -1.26 -0.86 115.64 110.49 1qkz s THR 57 Ca 0.00 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 1qkz s THR 57 Cb -0.14 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 1qkz s THR 57 CO 0.02 0.18 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.91 1qkz s TYR 58 N -0.57 0.58 -0.03 3.99 1.51 0.25 -4.98 117.35 118.10 1qkz s TYR 58 Ca 0.04 -0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 55.87 1qkz s TYR 58 Cb -0.07 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.43 1qkz s TYR 58 CO 0.00 -0.01 0.22 0.71 -1.11 0.00 0.00 175.55 175.36 1qkz s TYR 59 N -0.23 -0.11 0.76 2.71 1.51 -1.26 -1.37 117.35 119.36 1qkz s TYR 59 Ca 0.02 0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 56.17 1qkz s TYR 59 Cb -0.03 0.04 0.05 0.00 -0.11 0.00 0.00 41.96 41.90 1qkz s TYR 59 CO -0.00 -0.28 1.09 -1.25 -1.11 0.00 0.00 175.55 174.00 1qkz s PRO 60 N -0.98 2.41 0.54 -1.71 0.04 -1.26 -4.78 135.00 129.26 1qkz s PRO 60 Ca -0.11 0.66 0.22 0.00 0.04 0.00 0.00 61.00 61.82 1qkz s PRO 60 Cb -0.05 -1.95 1.43 0.00 0.04 0.00 0.00 34.50 33.96 1qkz s PRO 60 CO 0.02 -1.40 2.12 -0.44 0.04 0.00 0.00 177.00 177.35 1qkz h ASP 61 N -0.93 0.00 0.18 6.66 3.32 -1.97 -1.93 116.42 121.75 1qkz h ASP 61 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1qkz h ASP 61 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1qkz h ASP 61 CO 0.60 0.00 -0.06 0.77 -1.72 0.00 0.00 179.24 178.83 1qkz h SER 62 N 0.00 0.00 0.00 6.45 4.64 -1.98 -3.26 113.55 119.40 1qkz h SER 62 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1qkz h SER 62 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1qkz h SER 62 CO -0.00 0.06 -0.56 0.52 -0.87 0.00 0.00 176.83 175.98 1qkz n VAL 63 N -3.72 0.00 -1.60 0.95 0.31 -0.91 -5.01 118.33 108.34 1qkz n VAL 63 Ca -0.02 -0.16 -0.51 0.00 -0.01 0.00 0.00 64.34 63.63 1qkz n VAL 63 Cb 0.16 0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 33.68 1qkz n VAL 63 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1qkz n LYS 64 N -1.17 1.29 0.00 5.55 4.81 -0.77 -1.67 118.16 126.20 1qkz n LYS 64 Ca 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1qkz n LYS 64 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1qkz n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qkz n GLY 65 N 2.55 2.40 0.03 3.14 0.00 -1.26 -4.76 105.19 107.29 1qkz n GLY 65 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1qkz n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qkz n ARG 66 N -2.00 2.15 -4.07 1.61 1.74 -0.67 -4.99 116.66 110.42 1qkz n ARG 66 Ca 0.00 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 1qkz n ARG 66 Cb 0.00 -1.12 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1qkz n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1qkz s PHE 67 N -2.11 3.34 -0.14 -1.55 0.40 -0.88 0.19 117.98 117.22 1qkz s PHE 67 Ca -0.04 0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1qkz s PHE 67 Cb 0.02 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.82 1qkz s PHE 67 CO 0.17 0.57 -0.05 0.99 0.70 0.00 0.00 175.22 177.61 1qkz s THR 68 N -1.19 0.96 0.13 0.64 2.01 0.39 -4.89 115.64 113.68 1qkz s THR 68 Ca 0.23 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 1qkz s THR 68 Cb -0.12 -1.11 -0.07 0.00 0.01 0.00 0.00 72.50 71.21 1qkz s THR 68 CO 0.14 0.19 0.57 -0.51 -0.69 0.00 0.00 174.62 174.32 1qkz s ILE 69 N 1.71 4.79 0.23 1.82 2.07 -1.26 -1.19 121.20 129.37 1qkz s ILE 69 Ca 0.02 1.00 -0.08 0.00 -1.41 0.00 0.00 60.65 60.18 1qkz s ILE 69 Cb -0.14 -3.80 -0.02 0.00 0.13 0.00 0.00 42.46 38.63 1qkz s ILE 69 CO -0.08 0.35 0.35 -0.94 -1.91 0.00 0.00 174.94 172.71 1qkz s SER 70 N -1.50 0.02 0.01 4.50 1.04 -0.90 -4.99 113.70 111.87 1qkz s SER 70 Ca 0.35 -1.11 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 1qkz s SER 70 Cb -0.17 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1qkz s SER 70 CO 0.19 -1.04 0.48 0.00 0.98 0.00 0.00 173.24 173.85 1qkz s ARG 71 N -4.05 0.92 -0.39 4.02 1.70 -1.26 -0.18 118.95 119.71 1qkz s ARG 71 Ca 0.29 -0.13 -0.01 0.00 -0.47 0.00 0.00 55.73 55.40 1qkz s ARG 71 Cb 0.02 0.42 0.11 0.00 -0.57 0.00 0.00 34.95 34.92 1qkz s ARG 71 CO 0.10 -0.30 0.16 0.34 -1.08 0.00 0.00 175.30 174.53 1qkz s ASP 72 N -1.61 5.13 0.30 -2.89 -1.08 0.37 -4.97 116.67 111.92 1qkz s ASP 72 Ca -0.09 -2.04 0.25 0.00 -0.52 0.00 0.00 52.55 50.16 1qkz s ASP 72 Cb -0.02 -1.78 1.02 0.00 -1.46 0.00 0.00 42.92 40.68 1qkz s ASP 72 CO 0.03 -0.50 1.76 0.78 0.52 0.00 0.00 175.17 177.76 1qkz h ASN 73 N 7.95 0.00 0.18 -0.34 2.35 -1.95 -1.27 115.58 122.50 1qkz h ASN 73 Ca -0.11 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.34 1qkz h ASN 73 Cb 1.04 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.44 1qkz h ASN 73 CO 0.65 0.00 -1.28 0.00 -1.65 0.00 0.00 177.43 175.15 1qkz h ALA 74 N 2.24 -0.08 -0.02 -0.83 0.00 -1.95 -3.34 119.26 115.28 1qkz h ALA 74 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1qkz h ALA 74 Cb 0.43 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1qkz h ALA 74 CO 0.00 0.64 -0.05 1.63 0.00 0.00 0.00 179.25 181.47 1qkz n LYS 75 N -3.81 1.60 -3.38 0.00 5.02 -1.10 -4.95 118.16 111.54 1qkz n LYS 75 Ca -0.15 -1.00 -0.22 0.00 -2.02 0.00 0.00 58.31 54.92 1qkz n LYS 75 Cb 1.01 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 34.60 1qkz n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qkz n ASN 76 N 0.17 -5.99 -4.32 4.39 3.02 -0.52 -4.87 115.26 107.15 1qkz n ASN 76 Ca 0.17 -0.44 -0.31 0.00 -0.03 0.00 0.00 54.58 53.97 1qkz n ASN 76 Cb 0.38 -4.66 -0.16 0.00 -0.61 0.00 0.00 39.78 34.74 1qkz n ASN 76 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qkz s ASN 77 N -3.16 3.20 -0.04 6.41 0.01 -0.97 -0.95 114.94 119.45 1qkz s ASN 77 Ca 0.48 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 52.21 1qkz s ASN 77 Cb -0.21 -0.61 -0.03 0.00 0.41 0.00 0.00 41.25 40.81 1qkz s ASN 77 CO 0.59 0.29 -0.09 -0.22 -1.51 0.00 0.00 177.10 176.16 1qkz s LEU 78 N -0.44 3.02 0.16 0.60 2.96 -0.08 -0.48 118.68 124.42 1qkz s LEU 78 Ca 0.05 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1qkz s LEU 78 Cb -0.12 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1qkz s LEU 78 CO 0.01 0.33 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.94 1qkz s TYR 79 N -0.85 1.39 -0.20 5.38 2.02 0.75 -0.35 117.35 125.48 1qkz s TYR 79 Ca 0.14 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.11 1qkz s TYR 79 Cb -0.11 -0.69 0.09 0.00 -0.40 0.00 0.00 41.96 40.85 1qkz s TYR 79 CO 0.03 0.16 0.20 -1.17 -1.57 0.00 0.00 175.55 173.20 1qkz s LEU 80 N -3.10 -0.04 -0.20 -1.29 2.96 -0.18 -2.11 118.68 114.72 1qkz s LEU 80 Ca 0.17 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 1qkz s LEU 80 Cb 0.01 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.96 1qkz s LEU 80 CO 0.02 -0.33 0.52 -1.58 -1.32 0.00 0.00 176.35 173.66 1qkz s GLN 81 N 2.30 4.19 -0.27 1.98 2.00 -0.34 0.19 119.66 129.72 1qkz s GLN 81 Ca 0.06 0.41 -0.04 0.00 -2.00 0.00 0.00 55.36 53.79 1qkz s GLN 81 Cb -0.16 -3.56 0.01 0.00 0.80 0.00 0.00 33.01 30.11 1qkz s GLN 81 CO -0.12 -0.14 0.01 -1.64 -0.50 0.00 0.00 175.29 172.90 1qkz s MET 82 N 1.61 3.01 0.41 1.67 -1.94 -0.17 -0.46 119.30 123.41 1qkz s MET 82 Ca 0.24 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.41 1qkz s MET 82 Cb -0.15 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 1qkz s MET 82 CO 0.10 -0.40 0.27 -0.80 -0.01 0.00 0.00 175.02 174.18 1qkz s ASN 82 N 1.42 4.76 -1.36 3.03 0.01 0.13 -1.92 114.94 121.00 1qkz s ASN 82 Ca 0.02 -0.88 -0.14 0.00 -0.71 0.00 0.00 52.86 51.14 1qkz s ASN 82 Cb -0.17 -0.56 0.01 0.00 0.41 0.00 0.00 41.25 40.95 1qkz s ASN 82 CO -0.01 -0.57 0.40 -1.20 -1.51 0.00 0.00 177.10 174.21 1qkz n SER 82 N -1.38 -1.74 -4.77 -1.22 7.64 -0.94 -4.70 113.62 106.51 1qkz n SER 82 Ca 0.01 -1.21 -0.39 0.00 1.01 0.00 0.00 58.87 58.30 1qkz n SER 82 Cb 0.63 -2.10 -0.00 0.00 -1.01 0.00 0.00 64.21 61.73 1qkz n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qkz s LEU 82 N -7.23 4.12 0.28 -3.43 1.43 -0.44 -4.62 118.68 108.79 1qkz s LEU 82 Ca 0.23 2.54 0.10 0.00 -1.03 0.00 0.00 54.13 55.96 1qkz s LEU 82 Cb -0.11 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 1qkz s LEU 82 CO 0.95 -0.93 -0.15 -0.54 0.23 0.00 0.00 176.35 175.92 1qkz s LYS 83 N -2.43 1.62 0.45 1.70 1.02 -1.26 -0.22 119.74 120.62 1qkz s LYS 83 Ca 0.60 -1.77 0.12 0.00 0.02 0.00 0.00 55.97 54.94 1qkz s LYS 83 Cb -0.35 -1.54 1.05 0.00 -0.52 0.00 0.00 37.83 36.46 1qkz s LYS 83 CO 0.44 0.22 2.06 0.77 -0.92 0.00 0.00 175.35 177.92 1qkz h SER 84 N 2.28 0.29 0.32 2.83 0.02 -1.97 -1.01 113.55 116.31 1qkz h SER 84 Ca -0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1qkz h SER 84 Cb 1.25 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1qkz h SER 84 CO 0.64 0.20 0.00 -0.62 -1.14 0.00 0.00 176.83 175.90 1qkz n GLU 85 N -4.48 0.00 0.00 3.45 4.71 -1.26 -1.52 120.64 121.54 1qkz n GLU 85 Ca 0.04 0.34 0.15 0.00 -0.01 0.00 0.00 57.16 57.67 1qkz n GLU 85 Cb 0.18 -1.50 0.68 0.00 -1.01 0.00 0.00 31.44 29.79 1qkz n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1qkz n ASP 86 N -1.50 0.58 -4.71 1.62 8.00 -0.38 -4.88 116.55 115.28 1qkz n ASP 86 Ca 0.02 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 1qkz n ASP 86 Cb 0.11 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1qkz n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qkz s THR 87 N -2.23 2.66 0.00 -3.53 2.01 -0.58 -4.84 115.64 109.14 1qkz s THR 87 Ca 0.36 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1qkz s THR 87 Cb 0.21 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1qkz s THR 87 CO 0.41 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1qkz n GLY 88 N 3.90 0.68 3.74 4.40 0.00 0.32 -4.53 105.19 113.70 1qkz n GLY 88 Ca 0.15 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1qkz n GLY 88 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qkz s MET 89 N -2.00 4.44 -0.18 1.61 -2.45 -0.01 -0.77 119.30 119.94 1qkz s MET 89 Ca 0.00 0.96 -0.04 0.00 -1.25 0.00 0.00 55.69 55.37 1qkz s MET 89 Cb 0.00 -3.37 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 1qkz s MET 89 CO 0.00 0.27 -0.04 0.71 1.05 0.00 0.00 175.02 177.01 1qkz s TYR 90 N 0.04 2.98 0.07 4.11 1.51 0.84 -0.80 117.35 126.09 1qkz s TYR 90 Ca 0.37 -0.53 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 1qkz s TYR 90 Cb -0.20 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1qkz s TYR 90 CO 0.21 -0.23 -0.16 0.71 -1.11 0.00 0.00 175.55 174.97 1qkz s TYR 91 N 0.80 2.60 0.11 2.71 2.02 0.15 -1.35 117.35 124.39 1qkz s TYR 91 Ca -0.01 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1qkz s TYR 91 Cb -0.15 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1qkz s TYR 91 CO 0.02 0.32 0.22 0.00 -1.57 0.00 0.00 175.55 174.54 1qkz s ALA 93 N -1.62 -0.09 -0.00 0.00 0.00 0.21 -2.09 121.76 118.17 1qkz s ALA 93 Ca 0.34 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1qkz s ALA 93 Cb -0.12 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1qkz s ALA 93 CO 0.27 -0.51 0.04 0.50 0.00 0.00 0.00 175.76 176.06 1qkz s ARG 94 N -3.89 2.93 -0.22 0.00 3.52 -0.38 -0.26 118.95 120.65 1qkz s ARG 94 Ca 0.07 -0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 1qkz s ARG 94 Cb 0.05 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 1qkz s ARG 94 CO -0.09 0.64 0.48 0.34 -0.81 0.00 0.00 175.30 175.85 1qkz s ASP 95 N -1.66 6.48 0.82 -2.12 2.15 -0.33 -1.45 116.67 120.56 1qkz s ASP 95 Ca 0.21 0.57 -0.11 0.00 0.43 0.00 0.00 52.55 53.65 1qkz s ASP 95 Cb -0.12 -2.27 0.09 0.00 -0.30 0.00 0.00 42.92 40.32 1qkz s ASP 95 CO 0.12 -0.18 1.14 -2.16 -0.17 0.00 0.00 175.17 173.92 1qkz s PRO 96 N 1.75 1.71 0.15 4.34 0.04 -1.26 -4.36 135.00 137.37 1qkz s PRO 96 Ca 0.21 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1qkz s PRO 96 Cb -0.15 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1qkz s PRO 96 CO 0.09 -2.10 1.39 -0.07 0.04 0.00 0.00 177.00 176.35 1qkz h LEU 97 N -1.26 0.64 -2.42 -3.56 3.38 -1.97 -3.37 115.31 106.76 1qkz h LEU 97 Ca -0.44 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1qkz h LEU 97 Cb 1.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1qkz h LEU 97 CO 0.47 1.18 0.00 -1.84 0.09 0.00 0.00 178.44 178.34 1qkz n GLU 98 N -3.87 2.57 -3.53 1.13 0.28 -1.26 -4.94 120.64 111.01 1qkz n GLU 98 Ca -0.05 -2.38 -0.13 0.00 -0.16 0.00 0.00 57.16 54.43 1qkz n GLU 98 Cb 0.72 -1.53 -0.04 0.00 1.43 0.00 0.00 31.44 32.02 1qkz n GLU 98 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1qkz s TYR 99 N -1.41 -0.46 -0.17 -1.84 1.13 -1.26 -5.12 117.35 108.22 1qkz s TYR 99 Ca 0.41 0.45 -0.29 0.00 -1.41 0.00 0.00 57.07 56.23 1qkz s TYR 99 Cb 0.24 0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 41.50 1qkz s TYR 99 CO 0.32 -0.70 1.09 0.71 -2.51 0.00 0.00 175.55 174.46 1qkz s TYR 100 N -2.81 3.28 0.00 -3.49 2.02 -1.26 -4.31 117.35 110.79 1qkz s TYR 100 Ca -0.03 1.40 0.00 0.00 -0.37 0.00 0.00 57.07 58.06 1qkz s TYR 100 Cb -0.00 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1qkz s TYR 100 CO -0.05 -0.71 0.00 0.41 -1.57 0.00 0.00 175.55 173.64 1qkz n GLY 100 N 3.32 0.84 2.57 0.71 0.00 -1.26 -5.02 105.19 106.34 1qkz n GLY 100 Ca 0.11 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1qkz n GLY 100 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qkz s MET 100 N -0.60 0.23 -0.18 1.61 -1.94 -1.26 -4.23 119.30 112.93 1qkz s MET 100 Ca 0.00 -0.54 -0.19 0.00 -1.71 0.00 0.00 55.69 53.25 1qkz s MET 100 Cb 0.00 -1.30 -0.21 0.00 2.01 0.00 0.00 34.83 35.32 1qkz s MET 100 CO 0.00 -0.98 0.31 0.38 -0.01 0.00 0.00 175.02 174.71 1qkz h ASP 101 N 8.38 0.10 -4.13 3.03 2.03 -1.62 -3.48 116.42 120.73 1qkz h ASP 101 Ca -0.19 -0.64 -0.69 0.00 -0.73 0.00 0.00 57.03 54.78 1qkz h ASP 101 Cb 1.02 -0.03 -0.29 0.00 -0.83 0.00 0.00 39.33 39.20 1qkz h ASP 101 CO 0.43 1.53 -0.86 -0.31 -1.03 0.00 0.00 179.24 179.00 1qkz s TYR 102 N -2.39 2.48 0.21 4.15 2.02 -1.26 -4.98 117.35 117.58 1qkz s TYR 102 Ca -0.26 -0.53 0.10 0.00 -0.37 0.00 0.00 57.07 56.00 1qkz s TYR 102 Cb 0.05 -1.59 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 1qkz s TYR 102 CO 0.64 -0.09 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.76 1qkz s TRP 103 N -0.36 1.98 0.00 2.71 0.52 -1.26 -1.25 118.94 121.28 1qkz s TRP 103 Ca 0.02 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.70 1qkz s TRP 103 Cb -0.12 -0.93 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 1qkz s TRP 103 CO 0.02 0.47 0.00 0.41 0.02 0.00 0.00 176.95 177.87 1qkz n GLY 104 N -0.14 0.08 0.01 0.98 0.00 -0.89 -4.70 105.19 100.53 1qkz n GLY 104 Ca -0.09 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.20 1qkz n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qkz n GLN 105 N -0.95 0.06 0.00 1.61 1.13 -1.26 -4.88 117.38 113.09 1qkz n GLN 105 Ca 0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1qkz n GLN 105 Cb 0.00 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 28.82 1qkz n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qkz n GLY 106 N 1.47 0.64 2.95 1.08 0.00 -1.26 -5.04 105.19 105.03 1qkz n GLY 106 Ca 0.05 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 1qkz n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qkz s THR 107 N -2.44 -0.09 0.01 2.61 -1.32 -0.46 -4.68 115.64 109.28 1qkz s THR 107 Ca 0.00 0.20 -0.18 0.00 -1.21 0.00 0.00 61.69 60.50 1qkz s THR 107 Cb 0.00 -0.30 -0.06 0.00 -1.51 0.00 0.00 72.50 70.63 1qkz s THR 107 CO 0.00 0.08 0.52 -0.44 -2.21 0.00 0.00 174.62 172.57 1qkz s SER 108 N 1.40 6.93 -0.05 8.08 0.01 -1.26 -0.11 113.70 128.70 1qkz s SER 108 Ca -0.07 1.10 0.06 0.00 1.31 0.00 0.00 55.95 58.36 1qkz s SER 108 Cb -0.11 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1qkz s SER 108 CO -0.07 0.21 -0.24 -0.69 0.41 0.00 0.00 173.24 172.86 1qkz s VAL 109 N -0.67 2.14 -0.04 3.43 1.01 0.05 -2.17 120.40 124.15 1qkz s VAL 109 Ca 0.28 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1qkz s VAL 109 Cb -0.18 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1qkz s VAL 109 CO 0.16 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 175.76 1qkz s ALA 110 N -0.34 0.86 -0.18 5.51 0.00 -0.93 -0.52 121.76 126.15 1qkz s ALA 110 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1qkz s ALA 110 Cb -0.12 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1qkz s ALA 110 CO 0.02 0.08 -0.18 0.08 0.00 0.00 0.00 175.76 175.76 1qkz s VAL 111 N 0.57 2.27 -0.05 0.00 1.01 -1.26 -1.54 120.40 121.40 1qkz s VAL 111 Ca -0.09 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1qkz s VAL 111 Cb -0.12 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1qkz s VAL 111 CO 0.01 0.52 0.74 -0.55 0.00 0.00 0.00 175.10 175.83 1qkz s SER 112 N 1.27 -0.58 0.00 3.32 0.15 -0.65 -4.50 113.70 112.71 1qkz s SER 112 Ca 0.04 0.56 0.23 0.00 0.70 0.00 0.00 55.95 57.48 1qkz s SER 112 Cb -0.13 0.49 0.44 0.00 -1.71 0.00 0.00 66.02 65.11 1qkz s SER 112 CO -0.10 -0.59 1.41 -1.54 1.20 0.00 0.00 173.24 173.62 1qkz n SER 113 N 0.70 3.40 -4.78 5.45 3.41 -1.26 -4.03 113.62 116.51 1qkz n SER 113 Ca -0.17 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.13 1qkz n SER 113 Cb 0.58 -0.25 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1qkz n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qkz s ALA 114 N -1.51 2.50 0.27 7.33 0.00 -1.26 -5.06 121.76 124.03 1qkz s ALA 114 Ca 0.39 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.91 1qkz s ALA 114 Cb 0.23 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1qkz s ALA 114 CO 0.32 -1.24 0.16 -1.59 0.00 0.00 0.00 175.76 173.40 1qkz s LYS 115 N -4.18 2.73 0.11 0.00 -2.85 -1.26 -5.03 119.74 109.26 1qkz s LYS 115 Ca 0.66 -1.19 -0.31 0.00 -1.00 0.00 0.00 55.97 54.13 1qkz s LYS 115 Cb -0.19 -2.44 -0.09 0.00 -2.06 0.00 0.00 37.83 33.05 1qkz s LYS 115 CO 0.42 0.35 1.58 0.95 0.10 0.00 0.00 175.35 178.75 1qkz s THR 116 N -2.21 2.91 -0.03 3.79 -4.23 -1.26 -4.69 115.64 109.91 1qkz s THR 116 Ca 0.34 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1qkz s THR 116 Cb -0.07 -3.34 0.03 0.00 1.34 0.00 0.00 72.50 70.45 1qkz s THR 116 CO 0.24 0.02 0.00 -0.89 -0.54 0.00 0.00 174.62 173.45 1qkz s THR 117 N 1.81 0.19 0.42 3.99 2.01 0.15 -4.95 115.64 119.26 1qkz s THR 117 Ca 0.71 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.57 1qkz s THR 117 Cb -0.41 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 1qkz s THR 117 CO 0.31 0.16 1.04 0.00 -0.69 0.00 0.00 174.62 175.45 1qkz s ALA 118 N 1.15 3.03 0.55 7.40 0.00 -1.26 -1.77 121.76 130.86 1qkz s ALA 118 Ca -0.08 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1qkz s ALA 118 Cb -0.13 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1qkz s ALA 118 CO -0.02 -0.23 1.08 -1.25 0.00 0.00 0.00 175.76 175.34 1qkz s PRO 119 N -2.69 3.41 0.09 0.00 0.04 -1.26 -4.59 135.00 130.00 1qkz s PRO 119 Ca 0.60 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 1qkz s PRO 119 Cb -0.20 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1qkz s PRO 119 CO 0.25 -0.76 0.68 -1.12 0.04 0.00 0.00 177.00 176.09 1qkz s SER 120 N -2.24 7.19 -0.30 6.66 0.01 0.37 -4.86 113.70 120.53 1qkz s SER 120 Ca 0.68 1.41 0.03 0.00 1.31 0.00 0.00 55.95 59.38 1qkz s SER 120 Cb -0.19 -2.43 0.08 0.00 0.21 0.00 0.00 66.02 63.69 1qkz s SER 120 CO 0.29 0.19 -0.02 -0.69 0.41 0.00 0.00 173.24 173.42 1qkz s VAL 121 N -0.84 2.34 -0.06 3.43 1.01 -1.26 -0.39 120.40 124.62 1qkz s VAL 121 Ca 0.33 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.36 1qkz s VAL 121 Cb -0.21 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1qkz s VAL 121 CO 0.22 -0.29 0.09 -0.31 0.00 0.00 0.00 175.10 174.80 1qkz s TYR 122 N 1.04 3.38 0.22 5.22 2.02 0.03 -4.95 117.35 124.31 1qkz s TYR 122 Ca 0.00 0.32 -0.24 0.00 -0.37 0.00 0.00 57.07 56.77 1qkz s TYR 122 Cb -0.20 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 1qkz s TYR 122 CO -0.06 0.60 0.82 -1.25 -1.57 0.00 0.00 175.55 174.09 1qkz s PRO 123 N -1.31 4.52 -0.56 -1.71 0.04 -1.26 -0.74 135.00 133.98 1qkz s PRO 123 Ca 0.18 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.39 1qkz s PRO 123 Cb -0.12 -3.06 0.14 0.00 0.04 0.00 0.00 34.50 31.51 1qkz s PRO 123 CO 0.08 0.45 0.34 -0.51 0.04 0.00 0.00 177.00 177.40 1qkz s LEU 124 N -1.57 4.77 0.15 -3.56 1.43 -0.08 -4.88 118.68 114.94 1qkz s LEU 124 Ca 0.41 -2.91 -0.02 0.00 -1.03 0.00 0.00 54.13 50.59 1qkz s LEU 124 Cb -0.21 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1qkz s LEU 124 CO 0.25 -0.30 0.34 0.00 0.23 0.00 0.00 176.35 176.87 1qkz s ALA 125 N -0.14 3.86 0.70 4.21 0.00 -1.26 -1.01 121.76 128.12 1qkz s ALA 125 Ca 0.17 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 1qkz s ALA 125 Cb -0.23 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.91 1qkz s ALA 125 CO -0.02 0.59 1.11 -2.30 0.00 0.00 0.00 175.76 175.14 1qkz n PRO 126 N -0.25 0.69 -1.61 0.00 -0.02 -1.26 -4.92 135.00 127.63 1qkz n PRO 126 Ca -0.04 0.29 -0.46 0.00 -2.02 0.00 0.00 63.50 61.27 1qkz n PRO 126 Cb 0.53 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1qkz n PRO 126 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1qkz n VAL 127 N -2.36 1.32 -1.15 -1.45 0.31 -1.26 -4.41 118.33 109.33 1qkz n VAL 127 Ca 0.14 -0.33 -0.29 0.00 -0.01 0.00 0.00 64.34 63.85 1qkz n VAL 127 Cb 0.49 -1.10 0.16 0.00 -0.91 0.00 0.00 33.84 32.48 1qkz n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qkz n GLY 129 N -0.99 0.39 3.55 0.00 0.00 -1.26 -5.03 105.19 101.85 1qkz n GLY 129 Ca 0.06 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1qkz n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qkz s ASP 130 N -3.00 6.44 -0.09 1.61 -1.08 -1.26 -4.87 116.67 114.43 1qkz s ASP 130 Ca 0.00 -0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.17 1qkz s ASP 130 Cb 0.00 -2.40 0.51 0.00 -1.46 0.00 0.00 42.92 39.57 1qkz s ASP 130 CO 0.00 -0.92 1.43 0.35 0.52 0.00 0.00 175.17 176.55 1qkz n THR 131 N 6.15 1.69 -0.20 1.71 -2.24 -1.26 -4.66 114.28 115.46 1qkz n THR 131 Ca 0.03 -1.35 -0.04 0.00 -2.27 0.00 0.00 64.05 60.42 1qkz n THR 131 Cb 0.48 0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.98 1qkz n THR 131 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1qkz h THR 132 N 2.63 1.24 0.00 4.28 1.35 -2.03 -3.47 112.91 116.91 1qkz h THR 132 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1qkz h THR 132 Cb 1.20 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1qkz h THR 132 CO 0.15 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1qkz n GLY 133 N -0.84 0.61 3.94 5.82 0.00 -1.26 -5.06 105.19 108.40 1qkz n GLY 133 Ca 0.05 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1qkz n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qkz s SER 134 N -2.39 4.14 0.49 1.61 0.01 -1.26 -4.60 113.70 111.70 1qkz s SER 134 Ca 0.00 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 1qkz s SER 134 Cb 0.00 -0.59 -0.07 0.00 0.21 0.00 0.00 66.02 65.57 1qkz s SER 134 CO 0.00 -2.04 1.22 -0.44 0.41 0.00 0.00 173.24 172.39 1qkz s SER 135 N -4.69 5.88 -0.08 2.44 0.01 -1.26 -3.84 113.70 112.16 1qkz s SER 135 Ca 0.66 2.43 -0.04 0.00 1.31 0.00 0.00 55.95 60.31 1qkz s SER 135 Cb -0.07 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1qkz s SER 135 CO 0.47 -1.12 0.10 0.68 0.41 0.00 0.00 173.24 173.78 1qkz s VAL 136 N -1.49 5.09 -0.20 3.43 -7.23 0.94 -4.89 120.40 116.05 1qkz s VAL 136 Ca 0.66 -0.05 -0.04 0.00 -1.81 0.00 0.00 61.98 60.75 1qkz s VAL 136 Cb -0.32 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 1qkz s VAL 136 CO 0.38 0.54 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.78 1qkz s THR 137 N -1.06 3.54 0.40 5.32 2.01 -1.26 -1.31 115.64 123.28 1qkz s THR 137 Ca 0.17 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1qkz s THR 137 Cb -0.12 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1qkz s THR 137 CO 0.07 0.44 0.16 -0.76 -0.69 0.00 0.00 174.62 173.84 1qkz s LEU 138 N 1.15 3.10 0.31 4.42 1.43 -0.01 -4.42 118.68 124.68 1qkz s LEU 138 Ca 0.02 -1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 1qkz s LEU 138 Cb -0.15 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1qkz s LEU 138 CO -0.00 -0.50 0.75 -0.83 0.23 0.00 0.00 176.35 176.00 1qkz s GLY 139 N -3.88 0.08 -0.04 -3.19 0.00 -0.18 -0.86 107.32 99.25 1qkz s GLY 139 Ca 0.40 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.68 1qkz s GLY 139 CO 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 173.10 173.08 1qkz s LEU 141 N 0.41 3.88 -0.45 0.00 0.20 0.09 -1.57 118.68 121.23 1qkz s LEU 141 Ca -0.07 -0.81 -0.08 0.00 0.69 0.00 0.00 54.13 53.86 1qkz s LEU 141 Cb -0.12 -1.86 0.11 0.00 -0.43 0.00 0.00 46.19 43.90 1qkz s LEU 141 CO 0.01 -0.21 0.31 -0.69 -0.29 0.00 0.00 176.35 175.48 1qkz s VAL 142 N 1.47 4.11 0.01 1.68 1.01 0.29 -0.79 120.40 128.17 1qkz s VAL 142 Ca 0.02 -1.75 0.07 0.00 0.00 0.00 0.00 61.98 60.32 1qkz s VAL 142 Cb -0.18 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1qkz s VAL 142 CO 0.02 -0.72 -0.21 -0.75 0.00 0.00 0.00 175.10 173.45 1qkz s LYS 143 N 1.35 2.14 -0.34 2.72 2.20 0.48 -1.61 119.74 126.67 1qkz s LYS 143 Ca 0.05 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1qkz s LYS 143 Cb -0.25 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1qkz s LYS 143 CO -0.01 0.56 0.29 0.41 -0.36 0.00 0.00 175.35 176.24 1qkz n GLY 144 N 1.99 0.31 3.70 5.54 0.00 -0.08 -0.48 105.19 116.16 1qkz n GLY 144 Ca -0.16 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1qkz n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qkz s TYR 145 N -3.10 2.69 -0.26 1.61 1.13 -0.61 -4.31 117.35 114.50 1qkz s TYR 145 Ca 0.04 -0.36 -0.26 0.00 -1.41 0.00 0.00 57.07 55.09 1qkz s TYR 145 Cb -0.02 -1.53 0.13 0.00 -1.10 0.00 0.00 41.96 39.44 1qkz s TYR 145 CO 0.20 0.42 1.04 0.12 -2.51 0.00 0.00 175.55 174.82 1qkz s PHE 146 N -2.42 -0.44 0.31 -3.49 2.19 -0.73 -0.44 117.98 112.96 1qkz s PHE 146 Ca 0.36 1.04 -0.04 0.00 0.33 0.00 0.00 56.93 58.62 1qkz s PHE 146 Cb -0.03 0.38 0.07 0.00 -1.31 0.00 0.00 43.02 42.13 1qkz s PHE 146 CO 0.22 -0.24 0.42 -0.35 1.83 0.00 0.00 175.22 177.09 1qkz n PRO 147 N 1.98 -0.19 -1.45 10.12 -0.04 -1.26 -0.68 135.00 143.48 1qkz n PRO 147 Ca -0.12 -0.77 -0.31 0.00 -0.04 0.00 0.00 63.50 62.26 1qkz n PRO 147 Cb 0.56 -0.39 0.07 0.00 -0.04 0.00 0.00 33.50 33.70 1qkz n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1qkz s GLU 148 N -3.77 2.57 0.00 0.54 2.02 -1.26 -4.80 118.70 113.99 1qkz s GLU 148 Ca 0.25 0.99 0.00 0.00 0.02 0.00 0.00 54.97 56.22 1qkz s GLU 148 Cb -0.01 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1qkz s GLU 148 CO 0.17 -1.37 0.00 -0.35 0.02 0.00 0.00 175.26 173.73 1qkz n PRO 149 N -3.32 1.76 -4.36 0.39 -0.04 -1.26 -4.96 135.00 123.22 1qkz n PRO 149 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 1qkz n PRO 149 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1qkz n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qkz s VAL 150 N -0.09 1.38 -0.00 0.52 -7.23 -1.26 -4.26 120.40 109.46 1qkz s VAL 150 Ca 0.00 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1qkz s VAL 150 Cb 0.00 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1qkz s VAL 150 CO 0.00 -0.42 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.30 1qkz s THR 151 N -3.19 1.40 -0.03 5.32 2.01 -0.30 -4.97 115.64 115.88 1qkz s THR 151 Ca 0.26 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1qkz s THR 151 Cb 0.03 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1qkz s THR 151 CO 0.08 0.33 0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1qkz s VAL 152 N -0.50 -0.05 0.28 3.82 1.01 -1.26 -1.18 120.40 122.51 1qkz s VAL 152 Ca 0.06 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1qkz s VAL 152 Cb -0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 1qkz s VAL 152 CO -0.00 0.07 0.04 0.42 0.00 0.00 0.00 175.10 175.63 1qkz s THR 153 N 0.92 1.00 -0.11 3.92 -4.23 -0.46 -4.97 115.64 111.73 1qkz s THR 153 Ca -0.08 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1qkz s THR 153 Cb -0.11 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1qkz s THR 153 CO -0.03 -0.12 -0.20 0.26 -0.54 0.00 0.00 174.62 173.99 1qkz s TRP 154 N -3.44 2.27 -1.39 3.99 0.52 -1.26 0.30 118.94 119.94 1qkz s TRP 154 Ca 0.34 -1.01 -0.03 0.00 0.02 0.00 0.00 56.10 55.42 1qkz s TRP 154 Cb 0.07 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1qkz s TRP 154 CO 0.13 -0.46 0.68 0.09 0.02 0.00 0.00 176.95 177.41 1qkz n ASN 155 N 3.86 -1.62 -2.40 2.95 3.02 -0.06 -1.09 115.26 119.92 1qkz n ASN 155 Ca -0.20 -0.87 -0.16 0.00 -0.03 0.00 0.00 54.58 53.33 1qkz n ASN 155 Cb 0.52 -3.73 -0.01 0.00 -0.61 0.00 0.00 39.78 35.96 1qkz n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qkz n SER 156 N -2.99 -4.67 0.00 6.41 7.64 -1.26 -0.96 113.62 117.79 1qkz n SER 156 Ca -0.23 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1qkz n SER 156 Cb 0.65 -3.94 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1qkz n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qkz n GLY 157 N -0.87 0.78 0.11 0.23 0.00 -0.25 -4.93 105.19 100.25 1qkz n GLY 157 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1qkz n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qkz n SER 158 N 0.00 0.77 -4.23 1.61 3.41 -0.14 -4.10 113.62 110.95 1qkz n SER 158 Ca 0.00 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 1qkz n SER 158 Cb 0.00 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.11 1qkz n SER 158 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1qkz s LEU 159 N -4.49 6.09 -0.04 1.04 0.20 -1.01 -4.84 118.68 115.62 1qkz s LEU 159 Ca 0.09 -2.87 0.07 0.00 0.69 0.00 0.00 54.13 52.12 1qkz s LEU 159 Cb 0.12 -2.06 -0.11 0.00 -0.43 0.00 0.00 46.19 43.72 1qkz s LEU 159 CO 0.55 -0.46 0.10 -1.54 -0.29 0.00 0.00 176.35 174.71 1qkz n SER 160 N 3.61 3.17 -4.83 3.68 3.41 -1.26 -4.27 113.62 117.14 1qkz n SER 160 Ca 0.13 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.41 1qkz n SER 160 Cb 0.42 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 1qkz n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qkz s SER 161 N -3.45 6.53 -1.46 4.04 0.01 -1.26 -4.02 113.70 114.08 1qkz s SER 161 Ca -0.03 1.64 -0.06 0.00 1.31 0.00 0.00 55.95 58.81 1qkz s SER 161 Cb 0.04 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1qkz s SER 161 CO 0.32 -0.65 0.73 0.61 0.41 0.00 0.00 173.24 174.66 1qkz n GLY 162 N -1.29 -0.49 3.46 3.44 0.00 -1.26 -4.71 105.19 104.34 1qkz n GLY 162 Ca 0.07 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1qkz n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qkz s VAL 163 N -3.20 3.00 -0.15 1.61 1.01 -1.26 -1.14 120.40 120.28 1qkz s VAL 163 Ca 0.36 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1qkz s VAL 163 Cb -0.16 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1qkz s VAL 163 CO 0.45 0.59 -0.03 -1.00 0.00 0.00 0.00 175.10 175.11 1qkz s HIS 164 N -0.64 1.38 -0.31 5.22 3.76 0.42 -4.96 115.29 120.16 1qkz s HIS 164 Ca 0.10 -0.85 -0.08 0.00 -0.15 0.00 0.00 55.06 54.08 1qkz s HIS 164 Cb -0.11 -1.16 0.01 0.00 1.11 0.00 0.00 32.58 32.42 1qkz s HIS 164 CO 0.01 -0.55 0.11 0.99 -0.85 0.00 0.00 174.74 174.45 1qkz s THR 165 N 1.74 4.20 0.36 1.30 2.01 -1.26 -0.07 115.64 123.91 1qkz s THR 165 Ca 0.02 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1qkz s THR 165 Cb -0.15 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 1qkz s THR 165 CO -0.07 0.04 0.75 -0.36 -0.69 0.00 0.00 174.62 174.29 1qkz s PHE 166 N 1.53 3.41 0.59 4.92 0.40 -0.13 -5.00 117.98 123.69 1qkz s PHE 166 Ca 0.03 1.16 -0.20 0.00 -0.60 0.00 0.00 56.93 57.32 1qkz s PHE 166 Cb -0.17 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 1qkz s PHE 166 CO 0.04 0.01 1.32 -2.14 0.70 0.00 0.00 175.22 175.15 1qkz s PRO 167 N -3.32 2.91 0.48 0.24 0.02 -1.26 -4.29 135.00 129.78 1qkz s PRO 167 Ca 0.53 2.14 -0.22 0.00 0.02 0.00 0.00 61.00 63.47 1qkz s PRO 167 Cb -0.10 -2.08 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 1qkz s PRO 167 CO 0.23 -1.34 1.20 0.00 -0.33 0.00 0.00 177.00 176.76 1qkz s ALA 168 N -1.36 2.93 0.10 -1.55 0.00 -1.26 -4.78 121.76 115.85 1qkz s ALA 168 Ca 0.76 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.81 1qkz s ALA 168 Cb -0.39 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1qkz s ALA 168 CO 0.44 -0.81 -0.21 0.14 0.00 0.00 0.00 175.76 175.32 1qkz s VAL 169 N -1.50 1.73 -0.01 0.00 -7.23 0.54 -4.93 120.40 109.00 1qkz s VAL 169 Ca 0.66 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1qkz s VAL 169 Cb -0.31 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1qkz s VAL 169 CO 0.37 -0.06 0.97 -0.22 -0.31 0.00 0.00 175.10 175.84 1qkz s LEU 170 N -1.93 4.36 0.05 1.32 2.96 -1.26 -1.21 118.68 122.97 1qkz s LEU 170 Ca 0.07 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1qkz s LEU 170 Cb -0.10 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1qkz s LEU 170 CO 0.04 -0.26 0.00 1.67 -1.32 0.00 0.00 176.35 176.48 1qkz n GLN 171 N 3.93 0.00 -2.63 1.98 7.27 0.14 -4.87 117.38 123.19 1qkz n GLN 171 Ca 0.06 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.85 1qkz n GLN 171 Cb 0.51 -0.20 -0.01 0.00 2.41 0.00 0.00 30.24 32.95 1qkz n GLN 171 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1qkz n SER 172 N -2.93 4.78 -0.33 1.69 7.64 -1.26 -4.77 113.62 118.44 1qkz n SER 172 Ca 0.00 -3.71 -0.04 0.00 1.01 0.00 0.00 58.87 56.12 1qkz n SER 172 Cb 0.00 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1qkz n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qkz n ASP 173 N -0.39 -4.54 -4.14 6.43 8.00 -1.26 -4.95 116.55 115.70 1qkz n ASP 173 Ca 0.37 0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.76 1qkz n ASP 173 Cb 0.54 -2.43 -0.09 0.00 -0.02 0.00 0.00 41.12 39.13 1qkz n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qkz s LEU 174 N -0.99 1.90 0.09 0.64 1.43 -1.26 -4.73 118.68 115.76 1qkz s LEU 174 Ca 0.00 -1.57 0.04 0.00 -1.03 0.00 0.00 54.13 51.57 1qkz s LEU 174 Cb 0.00 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 1qkz s LEU 174 CO 0.00 -0.85 0.06 -0.31 0.23 0.00 0.00 176.35 175.48 1qkz s TYR 175 N -3.38 3.11 -0.02 0.29 1.51 0.42 0.25 117.35 119.52 1qkz s TYR 175 Ca 0.31 0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.39 1qkz s TYR 175 Cb 0.05 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 1qkz s TYR 175 CO 0.16 0.51 0.04 0.99 -1.11 0.00 0.00 175.55 176.14 1qkz s THR 176 N -1.41 -0.01 0.16 -0.71 2.01 -0.35 -0.90 115.64 114.43 1qkz s THR 176 Ca 0.28 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 1qkz s THR 176 Cb -0.12 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1qkz s THR 176 CO 0.21 0.01 0.16 -1.48 -0.69 0.00 0.00 174.62 172.84 1qkz s LEU 177 N 0.20 1.31 0.12 4.42 0.05 -0.64 -0.34 118.68 123.81 1qkz s LEU 177 Ca -0.02 -1.14 -0.02 0.00 0.05 0.00 0.00 54.13 53.01 1qkz s LEU 177 Cb -0.02 0.67 -0.04 0.00 -2.05 0.00 0.00 46.19 44.75 1qkz s LEU 177 CO -0.01 -0.83 0.07 -0.94 -0.55 0.00 0.00 176.35 174.10 1qkz s SER 178 N -3.05 0.30 0.01 1.48 1.04 -1.26 -0.55 113.70 111.67 1qkz s SER 178 Ca 0.25 -1.14 -0.00 0.00 0.48 0.00 0.00 55.95 55.54 1qkz s SER 178 Cb 0.06 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1qkz s SER 178 CO 0.04 -0.73 -0.01 -0.55 0.98 0.00 0.00 173.24 172.97 1qkz s SER 179 N -3.02 0.13 0.19 7.02 0.15 -0.61 -0.96 113.70 116.60 1qkz s SER 179 Ca 0.21 -0.28 0.10 0.00 0.70 0.00 0.00 55.95 56.69 1qkz s SER 179 Cb 0.07 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1qkz s SER 179 CO 0.00 -0.17 -0.21 -0.94 1.20 0.00 0.00 173.24 173.12 1qkz s SER 180 N -0.83 3.15 -0.05 5.45 1.04 0.90 -1.54 113.70 121.82 1qkz s SER 180 Ca -0.09 -0.88 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 1qkz s SER 180 Cb -0.06 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.87 1qkz s SER 180 CO -0.01 0.05 0.11 0.54 0.98 0.00 0.00 173.24 174.92 1qkz s VAL 181 N -1.91 -0.03 -0.10 5.02 0.11 -0.04 -0.43 120.40 123.01 1qkz s VAL 181 Ca 0.20 0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 1qkz s VAL 181 Cb -0.07 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1qkz s VAL 181 CO 0.09 0.05 -0.23 0.21 -3.33 0.00 0.00 175.10 171.89 1qkz s ASN 182 N 0.75 3.17 0.09 3.54 3.84 -0.29 -0.83 114.94 125.21 1qkz s ASN 182 Ca -0.06 -0.54 -0.00 0.00 0.21 0.00 0.00 52.86 52.47 1qkz s ASN 182 Cb -0.08 -1.40 -0.04 0.00 -0.55 0.00 0.00 41.25 39.18 1qkz s ASN 182 CO -0.03 0.16 -0.01 0.68 -2.79 0.00 0.00 177.10 175.11 1qkz s VAL 183 N 0.32 0.30 0.86 -5.21 -7.23 -0.43 -4.79 120.40 104.22 1qkz s VAL 183 Ca -0.18 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 1qkz s VAL 183 Cb -0.18 -1.72 0.11 0.00 0.56 0.00 0.00 36.38 35.15 1qkz s VAL 183 CO 0.08 -0.80 1.11 0.42 -0.31 0.00 0.00 175.10 175.60 1qkz s THR 184 N -3.88 2.64 -0.45 5.32 -4.23 -1.26 -0.04 115.64 113.74 1qkz s THR 184 Ca 0.13 0.21 0.26 0.00 -1.18 0.00 0.00 61.69 61.11 1qkz s THR 184 Cb 0.07 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.75 1qkz s THR 184 CO -0.05 -0.27 1.77 0.77 -0.54 0.00 0.00 174.62 176.29 1qkz h SER 185 N -1.57 0.00 1.22 3.99 4.64 -1.81 -1.87 113.55 118.15 1qkz h SER 185 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qkz h SER 185 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1qkz h SER 185 CO 0.47 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.23 1qkz n SER 186 N -2.53 0.47 -0.03 4.97 7.64 -1.26 -3.85 113.62 119.04 1qkz n SER 186 Ca 0.03 0.55 -0.20 0.00 1.01 0.00 0.00 58.87 60.26 1qkz n SER 186 Cb 0.35 -0.67 -0.13 0.00 -1.01 0.00 0.00 64.21 62.75 1qkz n SER 186 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qkz h THR 187 N 0.00 1.22 -4.18 0.44 2.02 -1.69 -3.43 112.91 107.28 1qkz h THR 187 Ca 0.00 -2.36 -0.52 0.00 0.77 0.00 0.00 66.41 64.31 1qkz h THR 187 Cb 0.61 2.80 -0.27 0.00 -1.74 0.00 0.00 68.15 69.55 1qkz h THR 187 CO 0.00 0.60 -0.82 0.86 0.37 0.00 0.00 175.52 176.53 1qkz s TRP 188 N -2.39 1.49 -1.09 3.16 -0.00 -1.19 -0.93 118.94 117.99 1qkz s TRP 188 Ca -0.21 -0.32 0.11 0.00 -0.00 0.00 0.00 56.10 55.68 1qkz s TRP 188 Cb 0.03 -0.92 0.48 0.00 -0.00 0.00 0.00 33.47 33.06 1qkz s TRP 188 CO 0.72 0.02 1.31 -0.35 -0.00 0.00 0.00 176.95 178.65 1qkz n PRO 189 N 2.24 2.93 -0.32 5.86 -0.04 -1.26 -4.69 135.00 139.71 1qkz n PRO 189 Ca -0.16 -1.87 -0.02 0.00 -0.04 0.00 0.00 63.50 61.41 1qkz n PRO 189 Cb 0.54 -1.75 0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1qkz n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qkz h SER 190 N 2.60 1.08 -2.81 3.54 4.64 -1.83 -3.40 113.55 117.38 1qkz h SER 190 Ca 0.00 -0.06 -0.66 0.00 -0.47 0.00 0.00 61.79 60.60 1qkz h SER 190 Cb 1.12 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 62.87 1qkz h SER 190 CO 0.19 0.83 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.37 1qkz s GLN 191 N -5.91 3.35 0.43 4.77 -0.21 -0.10 -5.10 119.66 116.89 1qkz s GLN 191 Ca -0.12 -0.26 -0.23 0.00 0.02 0.00 0.00 55.36 54.77 1qkz s GLN 191 Cb 0.17 -3.08 -0.09 0.00 1.00 0.00 0.00 33.01 31.01 1qkz s GLN 191 CO 0.82 0.72 1.05 -1.54 -2.12 0.00 0.00 175.29 174.22 1qkz s SER 192 N -1.40 6.62 -0.10 5.90 1.04 -1.26 -4.50 113.70 119.99 1qkz s SER 192 Ca 0.20 2.02 0.01 0.00 0.48 0.00 0.00 55.95 58.65 1qkz s SER 192 Cb -0.12 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.44 1qkz s SER 192 CO 0.10 -0.59 -0.11 -0.63 0.98 0.00 0.00 173.24 172.99 1qkz s ILE 193 N -1.74 1.23 -0.02 -1.02 1.01 -1.26 -5.00 121.20 114.39 1qkz s ILE 193 Ca 0.61 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1qkz s ILE 193 Cb -0.21 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 1qkz s ILE 193 CO 0.26 0.39 -0.11 -0.89 0.00 0.00 0.00 174.94 174.59 1qkz s THR 194 N 1.23 0.90 -0.12 2.92 2.01 -1.26 -0.46 115.64 120.86 1qkz s THR 194 Ca -0.03 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 1qkz s THR 194 Cb -0.14 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1qkz s THR 194 CO -0.04 0.27 0.25 0.00 -0.69 0.00 0.00 174.62 174.41 1qkz s ASN 196 N -0.26 5.53 -0.08 0.00 0.01 0.15 -1.01 114.94 119.27 1qkz s ASN 196 Ca 0.16 -0.71 0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1qkz s ASN 196 Cb -0.13 -1.99 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1qkz s ASN 196 CO 0.05 -0.25 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.57 1qkz s VAL 197 N 1.57 3.19 -0.03 1.60 1.01 0.22 -1.35 120.40 126.61 1qkz s VAL 197 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1qkz s VAL 197 Cb -0.18 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1qkz s VAL 197 CO 0.06 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.57 1qkz s ALA 198 N -0.32 1.34 -0.41 5.51 0.00 -0.33 -0.86 121.76 126.69 1qkz s ALA 198 Ca 0.03 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1qkz s ALA 198 Cb -0.13 -0.44 0.13 0.00 0.00 0.00 0.00 23.12 22.68 1qkz s ALA 198 CO 0.03 0.25 0.20 -1.58 0.00 0.00 0.00 175.76 174.65 1qkz s HIS 199 N 0.02 2.09 0.26 0.00 2.46 -0.22 -1.15 115.29 118.75 1qkz s HIS 199 Ca -0.02 -2.36 -0.02 0.00 0.47 0.00 0.00 55.06 53.13 1qkz s HIS 199 Cb -0.10 -1.96 0.52 0.00 -0.13 0.00 0.00 32.58 30.91 1qkz s HIS 199 CO 0.01 -0.81 1.72 -1.35 -2.47 0.00 0.00 174.74 171.85 1qkz h PRO 200 N 7.05 0.43 -0.28 2.88 0.11 -1.80 -1.93 132.00 138.47 1qkz h PRO 200 Ca -0.04 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.07 1qkz h PRO 200 Cb 0.95 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1qkz h PRO 200 CO 0.49 0.29 0.19 0.00 -0.21 0.00 0.00 178.00 178.76 1qkz h ALA 201 N 1.59 1.94 -0.20 -0.75 0.00 -1.89 -1.20 119.26 118.75 1qkz h ALA 201 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1qkz h ALA 201 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qkz h ALA 201 CO -0.43 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 177.70 1qkz n SER 202 N -4.49 3.03 -3.49 0.00 3.41 -0.87 -4.96 113.62 106.25 1qkz n SER 202 Ca 0.02 -1.91 -0.25 0.00 -0.26 0.00 0.00 58.87 56.47 1qkz n SER 202 Cb 0.17 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1qkz n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qkz n SER 203 N 1.25 -5.60 -4.77 4.04 7.64 -0.45 -4.96 113.62 110.76 1qkz n SER 203 Ca 0.15 -0.51 -0.38 0.00 1.01 0.00 0.00 58.87 59.13 1qkz n SER 203 Cb 0.54 -4.48 -0.06 0.00 -1.01 0.00 0.00 64.21 59.21 1qkz n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkz s THR 204 N -3.23 4.98 -0.29 0.44 2.01 -0.78 -4.96 115.64 113.82 1qkz s THR 204 Ca 0.51 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.57 1qkz s THR 204 Cb -0.24 -3.86 0.11 0.00 0.01 0.00 0.00 72.50 68.53 1qkz s THR 204 CO 0.63 0.44 0.18 -0.54 -0.69 0.00 0.00 174.62 174.64 1qkz s LYS 205 N -0.25 0.23 0.06 4.92 1.02 -1.26 -1.05 119.74 123.41 1qkz s LYS 205 Ca 0.28 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 55.91 1qkz s LYS 205 Cb -0.17 -1.01 -0.03 0.00 -0.52 0.00 0.00 37.83 36.10 1qkz s LYS 205 CO 0.15 -1.02 -0.12 0.14 -0.92 0.00 0.00 175.35 173.58 1qkz s VAL 206 N 2.18 0.93 -0.09 3.17 -7.23 -0.04 -4.98 120.40 114.34 1qkz s VAL 206 Ca 0.09 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1qkz s VAL 206 Cb -0.15 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 1qkz s VAL 206 CO -0.35 -0.27 -0.17 -1.81 -0.31 0.00 0.00 175.10 172.18 1qkz s ASP 207 N -1.69 3.69 -0.23 4.85 1.01 -1.26 0.70 116.67 123.74 1qkz s ASP 207 Ca -0.05 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 52.86 1qkz s ASP 207 Cb -0.10 -1.22 0.06 0.00 1.01 0.00 0.00 42.92 42.67 1qkz s ASP 207 CO 0.02 0.23 -0.06 -0.75 0.21 0.00 0.00 175.17 174.82 1qkz s LYS 208 N -0.04 1.67 0.15 8.23 2.47 -0.18 -4.96 119.74 127.08 1qkz s LYS 208 Ca -0.05 -0.98 -0.30 0.00 -1.56 0.00 0.00 55.97 53.09 1qkz s LYS 208 Cb -0.14 -2.57 -0.07 0.00 -1.46 0.00 0.00 37.83 33.59 1qkz s LYS 208 CO 0.04 -0.58 1.06 0.21 0.16 0.00 0.00 175.35 176.24 1qkz s LYS 209 N 1.39 4.62 -0.39 4.03 2.20 -1.26 -1.60 119.74 128.73 1qkz s LYS 209 Ca -0.05 1.63 -0.15 0.00 -0.36 0.00 0.00 55.97 57.03 1qkz s LYS 209 Cb -0.19 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1qkz s LYS 209 CO -0.06 0.11 0.32 0.42 -0.36 0.00 0.00 175.35 175.78 1qkz s ILE 210 N -0.10 5.23 0.18 5.43 1.01 0.40 -4.95 121.20 128.38 1qkz s ILE 210 Ca 0.49 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1qkz s ILE 210 Cb -0.27 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1qkz s ILE 210 CO 0.33 -0.25 0.20 0.68 0.00 0.00 0.00 174.94 175.90 1qkz s VAL 211 N 1.80 4.79 0.83 2.92 -7.23 -1.26 -4.55 120.40 117.69 1qkz s VAL 211 Ca 0.07 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1qkz s VAL 211 Cb -0.18 -3.48 0.09 0.00 0.56 0.00 0.00 36.38 33.37 1qkz s VAL 211 CO 0.11 -0.15 1.14 -2.16 -0.31 0.00 0.00 175.10 173.72 1qkz s PRO 212 N -3.30 1.67 0.00 4.82 0.04 -1.26 -4.76 135.00 132.22 1qkz s PRO 212 Ca 0.32 1.45 0.30 0.00 0.04 0.00 0.00 61.00 63.11 1qkz s PRO 212 Cb -0.10 -1.81 1.38 0.00 0.04 0.00 0.00 34.50 34.01 1qkz s PRO 212 CO 0.25 -2.12 1.93 0.54 0.04 0.00 0.00 177.00 177.64